 Entering Gaussian System, Link 0=g16
 Input=36b_RhEn3-lel2ob_STD_B3LYPDBJ-def2TZVPDr.in
 Output=36b_RhEn3-lel2ob_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36b_RhEn3-lel2ob_STD/Gau-139440.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36b_RhEn3-lel2ob_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    139441.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36b_RhEn3-lel2ob_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:32:27 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36b_RhEn3-lel2ob_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -2.549130000000     -1.314427000000     -0.788263000000
  C                                                -2.489211000000     -1.476014000000      0.711136000000
  N                                                -1.044481000000     -1.454430000000      1.136257000000
  Rh                                               -0.000130000000      0.001194000000     -0.000069000000
  N                                                 0.979011000000     -1.499359000000     -1.135079000000
  C                                                 2.421772000000     -1.582914000000     -0.710906000000
  C                                                 2.489662000000     -1.422620000000      0.788334000000
  N                                                 1.765206000000     -0.157327000000      1.164490000000
  N                                                -1.771326000000     -0.081265000000     -1.164692000000
  N                                                 0.846355000000      1.588228000000     -1.125363000000
  C                                                 0.738354000000      2.867165000000     -0.338772000000
  H                                                 3.522736000000     -1.386984000000      1.135893000000
  H                                                 2.001302000000     -2.252121000000      1.300550000000
  H                                                 2.857264000000     -2.531090000000     -1.027803000000
  H                                                 2.968216000000     -0.788605000000     -1.220402000000
  H                                                -2.965540000000     -2.404079000000      1.028788000000
  H                                                -3.001107000000     -0.658112000000      1.219196000000
  H                                                -3.579527000000     -1.235079000000     -1.136554000000
  H                                                -2.096291000000     -2.164483000000     -1.299497000000
  H                                                -2.362756000000      0.735150000000     -1.010250000000
  H                                                -1.609574000000     -0.093550000000     -2.171636000000
  H                                                -0.655838000000     -2.389231000000      1.013613000000
  H                                                -1.001113000000     -1.293216000000      2.142374000000
  H                                                 0.550136000000     -2.416064000000     -1.010284000000
  H                                                 0.941873000000     -1.338186000000     -2.141433000000
  H                                                 2.390480000000      0.633399000000      1.009972000000
  H                                                 1.602819000000     -0.162719000000      2.171382000000
  C                                                -0.610551000000      2.897132000000      0.338045000000
  N                                                -0.774945000000      1.624430000000      1.124896000000
  H                                                 1.817285000000      1.452090000000     -1.405369000000
  H                                                 0.343548000000      1.706576000000     -2.005010000000
  H                                                 1.547070000000      2.884615000000      0.392932000000
  H                                                 0.872026000000      3.729136000000     -0.993286000000
  H                                                -0.705735000000      3.764310000000      0.992421000000
  H                                                -1.417928000000      2.950178000000     -0.393378000000
  H                                                -1.750811000000      1.531991000000      1.405639000000
  H                                                -0.266808000000      1.720469000000      2.004222000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          12          12          14          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           0           0           2           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1          12          14           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  14.0030740   1.0078250
 NucSpn=           1           1           1           1           1           1           1           0           2           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   4.5500000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.4037610   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   7.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:32:28 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549130   -1.314427   -0.788263
      2          6           0       -2.489211   -1.476014    0.711136
      3          7           0       -1.044481   -1.454430    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979011   -1.499359   -1.135079
      6          6           0        2.421772   -1.582914   -0.710906
      7          6           0        2.489662   -1.422620    0.788334
      8          7           0        1.765206   -0.157327    1.164490
      9          7           0       -1.771326   -0.081265   -1.164692
     10          7           0        0.846355    1.588228   -1.125363
     11          6           0        0.738354    2.867165   -0.338772
     12          1           0        3.522736   -1.386984    1.135893
     13          1           0        2.001302   -2.252121    1.300550
     14          1           0        2.857264   -2.531090   -1.027803
     15          1           0        2.968216   -0.788605   -1.220402
     16          1           0       -2.965540   -2.404079    1.028788
     17          1           0       -3.001107   -0.658112    1.219196
     18          1           0       -3.579527   -1.235079   -1.136554
     19          1           0       -2.096291   -2.164483   -1.299497
     20          1           0       -2.362756    0.735150   -1.010250
     21          1           0       -1.609574   -0.093550   -2.171636
     22          1           0       -0.655838   -2.389231    1.013613
     23          1           0       -1.001113   -1.293216    2.142374
     24          1           0        0.550136   -2.416064   -1.010284
     25          1           0        0.941873   -1.338186   -2.141433
     26          1           0        2.390480    0.633399    1.009972
     27          1           0        1.602819   -0.162719    2.171382
     28          6           0       -0.610551    2.897132    0.338045
     29          7           0       -0.774945    1.624430    1.124896
     30          1           0        1.817285    1.452090   -1.405369
     31          1           0        0.343548    1.706576   -2.005010
     32          1           0        1.547070    2.884615    0.392932
     33          1           0        0.872026    3.729136   -0.993286
     34          1           0       -0.705735    3.764310    0.992421
     35          1           0       -1.417928    2.950178   -0.393378
     36          1           0       -1.750811    1.531991    1.405639
     37          1           0       -0.266808    1.720469    2.004222
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509271   0.000000
     3  N    2.446906   1.506134   0.000000
     4  Rh   2.974812   2.980517   2.121496   0.000000
     5  N    3.549966   3.929074   3.042286   2.120996   0.000000
     6  C    4.978748   5.113842   3.929813   2.979983   1.506142
     7  C    5.280794   4.979758   3.551370   2.974540   2.446931
     8  N    4.874999   4.477112   3.094772   2.120787   2.776179
     9  N    1.505778   2.445284   2.776374   2.121387   3.094547
    10  N    4.479772   4.887567   4.236503   2.121674   3.090451
    11  C    5.338099   5.512049   4.902081   2.978904   4.445059
    12  H    6.369866   6.027591   4.567715   3.953231   3.411815
    13  H    5.094001   4.595047   3.152792   3.282494   2.746638
    14  H    5.546778   5.720305   4.589768   3.953909   2.145649
    15  H    5.559167   5.829827   4.700947   3.305159   2.114093
    16  H    2.159262   1.090457   2.145659   3.954433   4.589153
    17  H    2.159844   1.090471   2.114092   3.305625   4.700175
    18  H    1.090560   2.158888   3.411780   3.953739   4.566193
    19  H    1.090421   2.161254   2.746521   3.282158   3.150699
    20  H    2.069971   2.805068   3.337604   2.672295   4.021942
    21  H    2.070514   3.315923   3.621254   2.704624   3.122743
    22  H    2.826042   2.070438   1.019773   2.677991   2.842795
    23  H    3.314429   2.072750   1.019874   2.695835   3.834721
    24  H    3.296718   3.617266   2.841686   2.677025   1.019733
    25  H    3.744160   4.464133   3.834367   2.695691   1.019855
    26  H    5.606017   5.324501   4.021683   2.671120   3.337985
    27  H    5.227295   4.538917   3.122210   2.703981   3.620556
    28  C    4.771152   4.774198   4.445394   2.978824   4.901626
    29  N    3.929986   3.566884   3.090657   2.121504   4.235789
    30  H    5.205768   5.621325   4.805978   2.717161   3.080067
    31  H    4.355975   5.052806   4.667563   2.654474   3.382102
    32  H    5.983814   5.950454   5.108422   3.295815   4.677257
    33  H    6.097858   6.426240   5.922610   3.955337   5.231511
    34  H    5.688806   5.542644   5.231700   3.955244   5.922064
    35  H    4.429719   4.686019   4.677587   3.295656   5.108211
    36  H    3.681388   3.174218   3.080613   2.717396   4.805857
    37  H    4.713551   4.102274   3.382029   2.654092   4.666323
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.509312   0.000000
     8  N    2.445503   1.505754   0.000000
     9  N    4.476934   4.875404   4.235320   0.000000
    10  N    3.565088   3.927837   3.022363   3.104997   0.000000
    11  C    4.772377   4.768616   3.530124   3.959025   1.505347
    12  H    2.158976   1.090554   2.145177   5.918166   4.596540
    13  H    2.161154   1.090382   2.112443   5.002275   4.686922
    14  H    1.090465   2.159211   3.410790   5.238724   4.584981
    15  H    1.090465   2.160095   2.744714   4.792358   3.187579
    16  H    5.720488   5.548000   5.238919   3.410713   5.925321
    17  H    5.829937   5.560455   4.792861   2.743727   5.034478
    18  H    6.026421   6.369884   5.917983   2.145150   5.249726
    19  H    4.593208   5.093168   5.001107   2.112717   4.772036
    20  H    5.324916   5.606856   4.750377   1.019890   3.322557
    21  H    4.539129   5.227962   4.745834   1.019927   3.155099
    22  H    3.618811   3.298372   3.296303   3.363931   4.759410
    23  H    4.465565   3.746422   3.146271   3.605376   4.732226
    24  H    2.070456   2.825548   3.362727   3.296106   4.016882
    25  H    2.072776   3.314561   3.605750   3.145683   3.099261
    26  H    2.806144   2.070308   1.019849   4.749793   2.802798
    27  H    3.315904   2.070426   1.019917   4.745617   3.808751
    28  C    5.510544   5.336135   3.956887   3.532204   2.444866
    29  N    4.886330   4.478331   3.102997   3.023968   2.773732
    30  H    3.171582   3.678095   3.032674   3.909889   1.019628
    31  H    4.100544   4.711735   3.942204   2.893994   1.020098
    32  H    4.684269   4.426861   3.145838   4.715335   2.115855
    33  H    5.540697   5.686080   4.534133   4.640673   2.145132
    34  H    6.424596   6.095610   4.638361   4.536195   3.410180
    35  H    5.949205   5.982229   4.713373   3.147930   2.741840
    36  H    5.620751   5.205036   3.908238   3.034735   3.626900
    37  H    5.051012   4.353794   2.891427   3.943582   3.324293
                   11         12         13         14         15
    11  C    0.000000
    12  H    5.293884   0.000000
    13  H    5.521730   1.757935   0.000000
    14  H    5.840009   2.536417   2.496342   0.000000
    15  H    4.371980   2.493527   3.071156   1.756604   0.000000
    16  H    6.585975   6.568385   4.976592   6.176629   6.548135
    17  H    5.370141   6.564962   5.250865   6.548096   6.449921
    18  H    6.009073   7.458501   6.174099   6.566868   6.563483
    19  H    5.854544   6.173256   4.853678   4.974528   5.248669
    20  H    3.822729   6.614257   5.771359   6.157698   5.548446
    21  H    4.199761   6.241260   5.454716   5.215611   4.726956
    22  H    5.603786   4.298829   2.676103   4.065635   4.548252
    23  H    5.146902   4.635408   3.262309   5.144845   5.226707
    24  H    5.329058   3.808075   2.733627   2.310060   2.922308
    25  H    4.579955   4.171822   3.715496   2.516330   2.292685
    26  H    3.088421   2.319441   2.926110   3.792678   2.707479
    27  H    4.028445   2.501428   2.298421   4.173440   3.709480
    28  C    1.509478   6.006186   5.853460   6.584594   5.368518
    29  N    2.444747   5.247742   4.771378   5.924137   5.033330
    30  H    2.074647   4.174556   4.590974   4.133985   2.525781
    31  H    2.068620   5.435312   5.417209   5.023098   3.705458
    32  H    1.090741   4.764641   5.236044   5.750214   4.256178
    33  H    1.090528   6.142829   6.504797   6.567556   4.985537
    34  H    2.159245   6.666062   6.604577   7.510548   6.254881
    35  H    2.158570   6.749800   6.451701   6.980262   5.822433
    36  H    3.319880   6.033529   5.330000   6.607921   5.877965
    37  H    2.795511   4.977038   4.628277   6.085126   5.211433
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756679   0.000000
    18  H    2.536187   2.493395   0.000000
    19  H    2.496780   3.071101   1.757934   0.000000
    20  H    3.791541   2.705384   2.319113   2.926182   0.000000
    21  H    4.173716   3.708482   2.501039   2.299192   1.613333
    22  H    2.309800   2.922212   3.808312   2.734208   4.095284
    23  H    2.516558   2.292508   4.171686   3.715508   3.988405
    24  H    4.064226   4.546680   4.297067   2.674044   4.291281
    25  H    5.143375   5.225267   4.632869   3.259151   4.061880
    26  H    6.157400   5.548061   6.613605   5.770000   5.165743
    27  H    5.215278   4.727389   6.240922   5.453208   5.162822
    28  C    5.841741   4.373894   5.297587   5.523487   3.092295
    29  N    4.586592   3.189779   4.599633   4.688230   2.805497
    30  H    6.608372   5.878622   6.034792   5.329811   4.259444
    31  H    6.086993   5.212866   4.979766   4.629866   3.042581
    32  H    6.981278   5.824048   6.752274   6.452270   4.677164
    33  H    7.512125   6.256531   6.669354   6.606014   4.407727
    34  H    6.569404   4.987783   6.146959   6.506698   3.991519
    35  H    5.752019   4.257535   4.768773   5.238414   2.485876
    36  H    4.136451   2.528745   4.178950   4.593587   2.616477
    37  H    5.024592   3.708140   5.438184   5.417972   3.801433
                   21         22         23         24         25
    21  H    0.000000
    22  H    4.040492   0.000000
    23  H    4.518861   1.610765   0.000000
    24  H    3.377448   2.356110   3.688687   0.000000
    25  H    2.838999   3.689403   4.704064   1.610831   0.000000
    26  H    5.162511   4.291429   4.061660   4.094817   3.989607
    27  H    5.402412   3.376287   2.838895   4.038404   4.518733
    28  C    4.029978   5.329548   4.578991   5.603145   5.147402
    29  N    3.809880   4.016970   3.098237   4.758196   4.732173
    30  H    3.836604   5.169483   5.297788   4.089544   3.015589
    31  H    2.661372   5.185219   5.292226   4.245977   3.105991
    32  H    5.040920   5.749043   5.196928   5.573158   4.961987
    33  H    4.707417   6.617887   6.210075   6.153648   5.196236
    34  H    5.070628   6.153780   5.195018   6.617028   6.210565
    35  H    3.530327   5.574019   4.960863   5.748948   5.197540
    36  H    3.931822   4.090065   3.014402   5.168963   5.298130
    37  H    4.746733   4.245266   3.104929   5.183199   5.291761
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.613408   0.000000
    28  C    3.818659   4.197954   0.000000
    29  N    3.318925   3.153220   1.505301   0.000000
    30  H    2.613939   3.930236   3.319944   3.626513   0.000000
    31  H    3.798915   4.745764   2.796003   3.324769   1.611283
    32  H    2.481945   3.528773   2.158355   2.741458   2.314958
    33  H    3.987773   5.069094   2.159330   3.410131   2.499653
    34  H    4.403346   4.705415   1.090535   2.145093   4.178683
    35  H    4.673417   5.039150   1.090711   2.115701   3.706076
    36  H    4.256091   3.834741   2.074502   1.019645   4.543067
    37  H    3.038327   2.658918   2.068536   1.020118   4.005094
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.930250   0.000000
    33  H    2.322418   1.757982   0.000000
    34  H    3.784159   2.491662   2.536454   0.000000
    35  H    2.691970   3.068191   2.492098   1.757973   0.000000
    36  H    4.006164   3.705562   4.178703   2.499236   2.314849
    37  H    4.055449   2.691030   3.783747   2.322431   2.930145
                   36         37
    36  H    0.000000
    37  H    1.611239   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.63D-14
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -2.549129   -1.314430   -0.788263
      2          6           0       -2.489209   -1.476017    0.711136
      3          7           0       -1.044479   -1.454431    1.136257
      4         45           0       -0.000130    0.001194   -0.000069
      5          7           0        0.979013   -1.499358   -1.135079
      6          6           0        2.421774   -1.582911   -0.710906
      7          6           0        2.489664   -1.422617    0.788334
      8          7           0        1.765206   -0.157325    1.164490
      9          7           0       -1.771326   -0.081267   -1.164692
     10          7           0        0.846353    1.588229   -1.125363
     11          6           0        0.738351    2.867166   -0.338772
     12          1           0        3.522738   -1.386980    1.135893
     13          1           0        2.001305   -2.252119    1.300550
     14          1           0        2.857267   -2.531087   -1.027803
     15          1           0        2.968217   -0.788602   -1.220402
     16          1           0       -2.965537   -2.404082    1.028788
     17          1           0       -3.001106   -0.658115    1.219196
     18          1           0       -3.579526   -1.235083   -1.136554
     19          1           0       -2.096289   -2.164485   -1.299497
     20          1           0       -2.362757    0.735147   -1.010250
     21          1           0       -1.609574   -0.093552   -2.171636
     22          1           0       -0.655835   -2.389232    1.013613
     23          1           0       -1.001112   -1.293217    2.142374
     24          1           0        0.550139   -2.416063   -1.010284
     25          1           0        0.941875   -1.338185   -2.141433
     26          1           0        2.390479    0.633402    1.009972
     27          1           0        1.602819   -0.162717    2.171382
     28          6           0       -0.610554    2.897131    0.338045
     29          7           0       -0.774947    1.624429    1.124896
     30          1           0        1.817283    1.452092   -1.405369
     31          1           0        0.343546    1.706576   -2.005010
     32          1           0        1.547067    2.884617    0.392932
     33          1           0        0.872022    3.729137   -0.993286
     34          1           0       -0.705739    3.764309    0.992421
     35          1           0       -1.417931    2.950176   -0.393378
     36          1           0       -1.750813    1.531989    1.405639
     37          1           0       -0.266810    1.720469    2.004222
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.7011504           0.6913191           0.4695393
 Leave Link  202 at Thu Jul 22 20:32:28 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      6      7     11     28
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      8      9     10     29
 S 6 1.00
     Exponent=  1.9730800647D+04 Coefficients=  2.1887984991D-04
     Exponent=  2.9578958745D+03 Coefficients=  1.6960708803D-03
     Exponent=  6.7322133595D+02 Coefficients=  8.7954603538D-03
     Exponent=  1.9068249494D+02 Coefficients=  3.5359382605D-02
     Exponent=  6.2295441898D+01 Coefficients=  1.1095789217D-01
     Exponent=  2.2654161182D+01 Coefficients=  2.4982972552D-01
 S 2 1.00
     Exponent=  8.9791477428D+00 Coefficients=  4.0623896148D-01
     Exponent=  3.6863002370D+00 Coefficients=  2.4338217176D-01
 S 1 1.00
     Exponent=  8.4660076805D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3647133771D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3647653675D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.8441605847D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.9200380510D+01 Coefficients=  5.5552416751D-03
     Exponent=  1.1346790537D+01 Coefficients=  3.8052379723D-02
     Exponent=  3.4273972411D+00 Coefficients=  1.4953671029D-01
     Exponent=  1.1785525134D+00 Coefficients=  3.4949305230D-01
 P 1 1.00
     Exponent=  4.1642204972D-01 Coefficients=  4.5843153697D-01
 P 1 1.00
     Exponent=  1.4260826011D-01 Coefficients=  2.4428771672D-01
 D 1 1.00
     Exponent=  1.6540000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2829642058D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0930000000D+00 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 2 1.00
     Exponent=  1.7000000000D+01 Coefficients= -1.6690803139D-01
     Exponent=  1.3910581694D+01 Coefficients=  3.4235001652D-01
 S 1 1.00
     Exponent=  5.2481265288D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.2262575928D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.3930216349D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0130730377D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7124139005D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.1767103631D+01 Coefficients=  5.9494859388D-02
     Exponent=  6.7485133083D+00 Coefficients= -2.3735853477D-01
     Exponent=  1.7502679834D+00 Coefficients=  4.9019334303D-01
     Exponent=  8.4321166133D-01 Coefficients=  5.0623933751D-01
 P 1 1.00
     Exponent=  3.8295544759D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1500000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.7000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.9857830136D+01 Coefficients=  6.6960778187D-03
     Exponent=  1.0061378139D+01 Coefficients= -2.1981738213D-02
     Exponent=  2.2619546477D+00 Coefficients=  3.7918706236D-01
     Exponent=  9.7098845035D-01 Coefficients=  6.7289976592D-01
 D 1 1.00
     Exponent=  3.8391195297D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.3537026904D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          7
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          1
                                   No pseudopotential on this center.
   13          1
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          6
                                   No pseudopotential on this center.
   29          7
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   778 symmetry adapted cartesian basis functions of A   symmetry.
 There are   700 symmetry adapted basis functions of A   symmetry.
   700 basis functions,  1034 primitive gaussians,   778 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.2090739051 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0806419341 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1284319711 Hartrees.
 Leave Link  301 at Thu Jul 22 20:32:29 2021, MaxMem=  5637144576 cpu:               7.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   40852 LenP2D=   80289.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   700 RedAO= T EigKep=  4.53D-06  NBF=   700
 NBsUse=   700 1.00D-06 EigRej= -1.00D+00 NBFU=   700
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   776   776   776   776   776 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul 22 20:32:31 2021, MaxMem=  5637144576 cpu:              12.4 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:32:31 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36b_RhEn3-lel2ob_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000    0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:32:33 2021, MaxMem=  5637144576 cpu:              12.3 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635920659 LenY=  5635314597
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 940000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.635469394154    
 DIIS: error= 2.41D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.635469394154     IErMin= 1 ErrMin= 2.41D-03
 ErrMax= 2.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.72D-03 BMatP= 5.72D-03
 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.41D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.54D-03 MaxDP=2.81D-01              OVMax= 7.30D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.53D-03    CP:  1.03D+00
 E= -681.638144165599     Delta-E=       -0.002674771445 Rises=F Damp=F
 DIIS: error= 6.36D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.638144165599     IErMin= 2 ErrMin= 6.36D-05
 ErrMax= 6.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.13D-06 BMatP= 5.72D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.924D-02 0.101D+01
 Coeff:     -0.924D-02 0.101D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=1.21D-02 DE=-2.67D-03 OVMax= 1.34D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.74D-05    CP:  1.03D+00  1.03D+00
 E= -681.638137621096     Delta-E=        0.000006544503 Rises=F Damp=F
 DIIS: error= 1.24D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.638144165599     IErMin= 2 ErrMin= 6.36D-05
 ErrMax= 1.24D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.43D-05 BMatP= 4.13D-06
 IDIUse=3 WtCom= 4.73D-01 WtEn= 5.27D-01
 Coeff-Com: -0.686D-02 0.696D+00 0.310D+00
 Coeff-En:   0.000D+00 0.695D+00 0.305D+00
 Coeff:     -0.324D-02 0.695D+00 0.308D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.52D-06 MaxDP=2.02D-03 DE= 6.54D-06 OVMax= 9.36D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.94D-06    CP:  1.03D+00  1.03D+00  9.98D-01
 E= -681.638149117254     Delta-E=       -0.000011496159 Rises=F Damp=F
 DIIS: error= 2.80D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.638149117254     IErMin= 4 ErrMin= 2.80D-05
 ErrMax= 2.80D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-07 BMatP= 4.13D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.234D-02 0.224D+00 0.171D+00 0.608D+00
 Coeff:     -0.234D-02 0.224D+00 0.171D+00 0.608D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.97D-06 MaxDP=3.26D-04 DE=-1.15D-05 OVMax= 1.50D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.94D-06    CP:  1.03D+00  1.03D+00  1.03D+00  1.04D+00
 E= -681.638149479295     Delta-E=       -0.000000362041 Rises=F Damp=F
 DIIS: error= 7.63D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.638149479295     IErMin= 5 ErrMin= 7.63D-06
 ErrMax= 7.63D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-07 BMatP= 6.47D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.482D-03 0.397D-01 0.583D-01 0.329D+00 0.573D+00
 Coeff:     -0.482D-03 0.397D-01 0.583D-01 0.329D+00 0.573D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.81D-07 MaxDP=7.99D-05 DE=-3.62D-07 OVMax= 4.40D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.09D-07    CP:  1.03D+00  1.03D+00  1.03D+00  1.05D+00  9.40D-01
 E= -681.638149552616     Delta-E=       -0.000000073321 Rises=F Damp=F
 DIIS: error= 2.60D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.638149552616     IErMin= 6 ErrMin= 2.60D-06
 ErrMax= 2.60D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.75D-09 BMatP= 1.01D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.465D-04-0.804D-02 0.124D-01 0.916D-01 0.288D+00 0.616D+00
 Coeff:      0.465D-04-0.804D-02 0.124D-01 0.916D-01 0.288D+00 0.616D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.33D-07 MaxDP=1.85D-05 DE=-7.33D-08 OVMax= 1.21D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.33D-07    CP:  1.03D+00  1.03D+00  1.04D+00  1.04D+00  9.40D-01
                    CP:  9.21D-01
 E= -681.638149559955     Delta-E=       -0.000000007339 Rises=F Damp=F
 DIIS: error= 2.65D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.638149559955     IErMin= 7 ErrMin= 2.65D-07
 ErrMax= 2.65D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-11 BMatP= 9.75D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.202D-04-0.295D-02 0.342D-02 0.225D-01 0.778D-01 0.196D+00
 Coeff-Com:  0.704D+00
 Coeff:      0.202D-04-0.295D-02 0.342D-02 0.225D-01 0.778D-01 0.196D+00
 Coeff:      0.704D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.87D-08 MaxDP=2.47D-06 DE=-7.34D-09 OVMax= 2.32D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.19D-08    CP:  1.03D+00  1.03D+00  1.04D+00  1.04D+00  9.39D-01
                    CP:  9.39D-01  9.69D-01
 E= -681.638149559920     Delta-E=        0.000000000035 Rises=F Damp=F
 DIIS: error= 1.38D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 7 EnMin= -681.638149559955     IErMin= 8 ErrMin= 1.38D-07
 ErrMax= 1.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.05D-11 BMatP= 8.92D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.760D-05-0.990D-03 0.847D-03 0.507D-02 0.198D-01 0.589D-01
 Coeff-Com:  0.403D+00 0.513D+00
 Coeff:      0.760D-05-0.990D-03 0.847D-03 0.507D-02 0.198D-01 0.589D-01
 Coeff:      0.403D+00 0.513D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.80D-08 MaxDP=1.03D-06 DE= 3.50D-11 OVMax= 1.39D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.15D-08    CP:  1.03D+00  1.03D+00  1.04D+00  1.04D+00  9.41D-01
                    CP:  9.37D-01  9.99D-01  6.04D-01
 E= -681.638149560047     Delta-E=       -0.000000000127 Rises=F Damp=F
 DIIS: error= 4.50D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -681.638149560047     IErMin= 9 ErrMin= 4.50D-08
 ErrMax= 4.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-12 BMatP= 3.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.193D-05-0.218D-03 0.289D-04 0.372D-03 0.248D-02 0.107D-01
 Coeff-Com:  0.141D+00 0.276D+00 0.570D+00
 Coeff:      0.193D-05-0.218D-03 0.289D-04 0.372D-03 0.248D-02 0.107D-01
 Coeff:      0.141D+00 0.276D+00 0.570D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=5.96D-09 MaxDP=3.38D-07 DE=-1.27D-10 OVMax= 4.49D-07

 SCF Done:  E(RB3LYP) =  -681.638149560     A.U. after    9 cycles
            NFock=  9  Conv=0.60D-08     -V/T= 2.1198
 KE= 6.086959390044D+02 PE=-3.906638306861D+03 EE= 1.418175786325D+03
 Leave Link  502 at Thu Jul 22 20:44:55 2021, MaxMem=  5637144576 cpu:            5921.2 elap:             742.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   700
 NBasis=   700 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    700 NOA=    58 NOB=    58 NVA=   642 NVB=   642

 **** Warning!!: The largest alpha MO coefficient is  0.69727496D+02

 Leave Link  801 at Thu Jul 22 20:44:55 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11251 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.21D-13 8.33D-09 XBig12= 1.00D+00 3.45D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.21D-13 8.33D-09 XBig12= 2.60D-01 1.02D-01.
     11 vectors produced by pass  2 Test12= 6.21D-13 8.33D-09 XBig12= 9.95D-02 6.25D-02.
     11 vectors produced by pass  3 Test12= 6.21D-13 8.33D-09 XBig12= 2.05D-02 1.58D-02.
     11 vectors produced by pass  4 Test12= 6.21D-13 8.33D-09 XBig12= 3.02D-03 9.44D-03.
     11 vectors produced by pass  5 Test12= 6.21D-13 8.33D-09 XBig12= 7.48D-04 6.78D-03.
     11 vectors produced by pass  6 Test12= 6.21D-13 8.33D-09 XBig12= 1.13D-04 2.51D-03.
     11 vectors produced by pass  7 Test12= 6.21D-13 8.33D-09 XBig12= 5.43D-06 2.64D-04.
     11 vectors produced by pass  8 Test12= 6.21D-13 8.33D-09 XBig12= 4.08D-07 6.66D-05.
     11 vectors produced by pass  9 Test12= 6.21D-13 8.33D-09 XBig12= 1.26D-08 1.08D-05.
     11 vectors produced by pass 10 Test12= 6.21D-13 8.33D-09 XBig12= 1.63D-10 1.61D-06.
      5 vectors produced by pass 11 Test12= 6.21D-13 8.33D-09 XBig12= 2.95D-12 2.92D-07.
      3 vectors produced by pass 12 Test12= 6.21D-13 8.33D-09 XBig12= 8.79D-14 6.26D-08.
      3 vectors produced by pass 13 Test12= 6.21D-13 8.33D-09 XBig12= 6.32D-13 5.20D-08.
      2 vectors produced by pass 14 Test12= 6.21D-13 8.33D-09 XBig12= 1.43D-13 2.23D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   134 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.157472D+03
      2 -0.266117D-02  0.156294D+03
      3 -0.127888D-01 -0.106690D-02  0.126011D+03
 Isotropic polarizability for W=    0.085645      146.59 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.671285D+01 -0.103702D+03 -0.228199D+00
      2   0.684437D+01  0.110128D+03  0.209392D+00
      3  -0.131520D+00 -0.642645D+01  0.188074D-01
      4  -0.101053D+03  0.688561D+01 -0.511106D+01
      5  -0.196709D+00  0.151005D+01 -0.232008D+00
      6  -0.101086D+02  0.176623D+00 -0.965749D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.331350D+01  0.125789D+00  0.194757D+01
      2   0.698576D-01  0.165045D+01 -0.354546D-01
      3   0.255484D+01 -0.992577D-01 -0.254055D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.662111D+01 -0.327683D-01  0.323104D+01
      2  -0.314898D-01  0.499749D+01 -0.100488D+00
      3   0.264875D+01 -0.412434D-01 -0.116186D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.121022D+01 -0.569439D-01 -0.390627D+00
      2  -0.569439D-01 -0.167765D+01  0.159616D-01
      3  -0.390627D+00  0.159616D-01 -0.373618D+01
 OR G Eigenvalues:    -3.7669    -1.6787     1.2420  Iso=     1.4012
 Eigenvectors:
   (1)   0.078180  -0.005486   0.996924
   (2)   0.020236   0.999788   0.003914
   (3)   0.996734  -0.019868  -0.078275
 w=    0.085645 a.u., Optical Rotation Beta=      1.4012 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      234.66 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  245350 ScalPx= 2.58D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.04D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 3.73D-01.
     30 vectors produced by pass  1 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 3.75D-01.
     30 vectors produced by pass  2 Test12= 1.03D-13 2.78D-09 XBig12= 1.09D-02 1.61D-02.
     30 vectors produced by pass  3 Test12= 1.03D-13 2.78D-09 XBig12= 7.91D-04 3.17D-03.
     30 vectors produced by pass  4 Test12= 1.03D-13 2.78D-09 XBig12= 1.40D-05 4.05D-04.
     30 vectors produced by pass  5 Test12= 1.03D-13 2.78D-09 XBig12= 1.14D-07 3.27D-05.
     30 vectors produced by pass  6 Test12= 1.03D-13 2.78D-09 XBig12= 9.68D-10 3.12D-06.
     30 vectors produced by pass  7 Test12= 1.03D-13 2.78D-09 XBig12= 4.79D-12 1.88D-07.
     12 vectors produced by pass  8 Test12= 1.03D-13 2.78D-09 XBig12= 1.46D-14 1.28D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   252 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 1.08D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 1.08D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.38D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157472D+03 -0.266117D-02 -0.127888D-01
      2  -0.266117D-02  0.156294D+03 -0.106690D-02
      3  -0.127888D-01 -0.106690D-02  0.126011D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.331350D+01  0.125789D+00  0.194757D+01
      2   0.698576D-01  0.165045D+01 -0.354546D-01
      3   0.255484D+01 -0.992577D-01 -0.254055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.671285D+01 -0.103702D+03 -0.228199D+00
      2   0.684437D+01  0.110128D+03  0.209392D+00
      3  -0.131520D+00 -0.642645D+01  0.188074D-01
      4  -0.101053D+03  0.688561D+01 -0.511106D+01
      5  -0.196709D+00  0.151005D+01 -0.232008D+00
      6  -0.101086D+02  0.176623D+00 -0.965749D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.900734D+01  0.108537D+01  0.443448D+01 -0.821873D+00 -0.291117D+01
      2   0.108537D+01 -0.260055D+01  0.107322D+00 -0.291117D+01  0.753494D+00
      3   0.443448D+01  0.107322D+00  0.608853D+00 -0.661364D+00  0.228498D+01
                 6             7             8             9            10 
      1  -0.661364D+00  0.312397D+01 -0.401546D+00  0.719589D+00 -0.919612D+00
      2   0.228498D+01 -0.401546D+00  0.153441D+01  0.129694D+01  0.116709D+01
      3   0.103220D+01  0.719589D+00  0.129694D+01 -0.499065D+00 -0.264708D+01
                11            12            13            14            15 
      1   0.116709D+01 -0.264708D+01  0.258677D+01  0.596099D+01 -0.110568D+01
      2   0.449149D+01 -0.276495D+00  0.596099D+01  0.308547D+01 -0.382356D+01
      3  -0.276495D+00  0.939038D+00 -0.110568D+01 -0.382356D+01 -0.207079D+00
                16            17            18            19            20 
      1  -0.162447D+01 -0.386099D+00  0.129854D+01 -0.303469D+01 -0.439514D+01
      2  -0.386099D+00 -0.281751D+01 -0.208168D+00 -0.439514D+01 -0.676031D+01
      3   0.129854D+01 -0.208168D+00  0.580509D+00  0.355153D+01  0.271905D+01
                21            22            23            24            25 
      1   0.355153D+01 -0.205820D+01 -0.451298D+01  0.144133D+01  0.198532D+01
      2   0.271905D+01 -0.451298D+01 -0.301812D+01  0.291281D+01  0.134659D+01
      3  -0.144797D+01  0.144133D+01  0.291281D+01 -0.163245D+01 -0.123889D+01
                26            27            28            29            30 
      1   0.134659D+01 -0.123889D+01  0.122264D+00  0.218643D+01  0.100210D-02
      2   0.312912D+01 -0.195570D+01  0.218643D+01 -0.166530D+00 -0.175442D+01
      3  -0.195570D+01 -0.178325D+01  0.100210D-02 -0.175442D+01  0.144881D-02
                31            32            33            34            35 
      1   0.202445D+01 -0.148162D+00  0.204765D+01 -0.417754D-02 -0.679764D-01
      2  -0.148162D+00 -0.252338D+01  0.940349D-03 -0.679764D-01  0.424050D-02
      3   0.204765D+01  0.940349D-03  0.258274D+00  0.314016D-02  0.129518D+00
                36            37            38            39            40 
      1   0.314016D-02  0.258278D+01 -0.401026D+01 -0.336239D+01 -0.177425D+01
      2   0.129518D+00 -0.401026D+01  0.698232D+01  0.273279D+01  0.463054D+01
      3  -0.237073D-02 -0.336239D+01  0.273279D+01  0.137793D+01  0.145369D+01
                41            42            43            44            45 
      1   0.463054D+01  0.145369D+01 -0.187770D+01  0.128753D+01  0.114993D+01
      2  -0.372379D+01 -0.309954D+01  0.128753D+01 -0.325158D+01 -0.199757D+01
      3  -0.309954D+01 -0.168483D+01  0.114993D+01 -0.199757D+01  0.178755D+01
                46            47            48            49            50 
      1   0.111512D+01  0.671425D+00  0.258607D+01  0.202403D+01 -0.594676D+01
      2   0.671425D+00 -0.441834D+01 -0.219724D+00 -0.594676D+01  0.380264D+01
      3   0.258607D+01 -0.219724D+00 -0.950912D+00 -0.104593D+01  0.387820D+01
                51            52            53            54            55 
      1  -0.104593D+01  0.158995D+01 -0.325997D+00 -0.130513D+01 -0.891021D+01
      2   0.387820D+01 -0.325997D+00  0.284596D+01 -0.162710D+00  0.170214D+01
      3  -0.174453D+00 -0.130513D+01 -0.162710D+00 -0.578688D+00 -0.444710D+01
                56            57            58            59            60 
      1   0.170214D+01 -0.444710D+01 -0.196933D+00  0.289768D+01 -0.572654D+00
      2   0.250011D+01  0.198904D+00  0.289768D+01  0.387554D+00 -0.226345D+01
      3   0.198904D+00 -0.556474D+00 -0.572654D+00 -0.226345D+01  0.105846D+01
                61            62            63            64            65 
      1  -0.314402D+01 -0.333632D+00 -0.655904D+00  0.104859D+02 -0.169306D+01
      2  -0.333632D+00 -0.150330D+01  0.132959D+01 -0.169306D+01 -0.137395D+01
      3  -0.655904D+00  0.132959D+01  0.496692D+00  0.520942D+01 -0.610697D+00
                66            67            68            69            70 
      1   0.520942D+01 -0.487337D+01 -0.421533D+00 -0.198322D+01  0.413547D+01
      2  -0.610697D+00 -0.421533D+00 -0.696294D+00  0.169646D+01  0.208920D-01
      3   0.239607D+01 -0.198322D+01  0.169646D+01 -0.736047D+00  0.242402D+01
                71            72            73            74            75 
      1   0.208920D-01  0.242402D+01 -0.107900D+02 -0.115515D+01 -0.530941D+01
      2   0.112911D+01 -0.279156D+00 -0.115515D+01  0.146914D+01 -0.456102D+00
      3  -0.279156D+00 -0.173751D+01 -0.530941D+01 -0.456102D+00 -0.242329D+01
                76            77            78            79            80 
      1  -0.437364D+01  0.650527D+00 -0.183286D+01 -0.412495D+01  0.148907D+00
      2   0.650527D+00 -0.792176D+00 -0.159368D+01  0.148907D+00 -0.113512D+01
      3  -0.183286D+01 -0.159368D+01 -0.632092D+00 -0.243350D+01 -0.175339D+00
                81            82            83            84            85 
      1  -0.243350D+01 -0.482097D+00  0.182170D+01  0.898363D+00  0.270291D+01
      2  -0.175339D+00  0.182170D+01  0.188919D+01 -0.129404D+01  0.469020D+01
      3   0.173963D+01  0.898363D+00 -0.129404D+01  0.137335D+01 -0.208277D+01
                86            87            88            89            90 
      1   0.469020D+01 -0.208277D+01  0.259927D+00 -0.119682D+01  0.224494D+01
      2   0.938253D+01 -0.541062D+01 -0.119682D+01 -0.315551D+01  0.112122D+01
      3  -0.541062D+01  0.132161D+01  0.224494D+01  0.112122D+01  0.735287D+00
                91            92            93            94            95 
      1  -0.130850D+01 -0.509627D+00 -0.243877D+01 -0.803957D+00 -0.235441D+01
      2  -0.509627D+00 -0.284422D+00  0.598170D+00 -0.235441D+01 -0.501927D+01
      3  -0.243877D+01  0.598170D+00 -0.158211D+01  0.647183D+00  0.489568D+01
                96            97            98            99           100 
      1   0.647183D+00 -0.299856D+01  0.129410D+01 -0.219372D+01  0.115677D+02
      2   0.489568D+01  0.129410D+01  0.645801D+01 -0.205849D+01 -0.234896D+01
      3  -0.977604D+00 -0.219372D+01 -0.205849D+01  0.218216D+00  0.345201D+01
               101           102           103           104           105 
      1  -0.234896D+01  0.345201D+01  0.227871D+00  0.102157D+01  0.343755D+00
      2   0.141951D+01 -0.607563D+00  0.102157D+01 -0.868580D+00  0.689960D+00
      3  -0.607563D+00  0.219454D+01  0.343755D+00  0.689960D+00 -0.209746D+00
               106           107           108           109           110 
      1   0.327276D+01 -0.655355D+00  0.259818D+01 -0.369911D+00 -0.838267D+00
      2  -0.655355D+00  0.632721D+00 -0.805381D+00 -0.838267D+00 -0.144496D+01
      3   0.259818D+01 -0.805381D+00  0.166684D+01  0.102310D+01  0.538703D+00
               111           112           113           114           115 
      1   0.102310D+01 -0.102298D+01 -0.177454D+00  0.103352D+00  0.123381D+01
      2   0.538703D+00 -0.177454D+00 -0.450343D+01  0.217834D+01 -0.235860D+00
      3  -0.848134D+00  0.103352D+00  0.217834D+01 -0.220333D+01  0.545875D-01
               116           117           118           119           120 
      1  -0.235860D+00  0.545875D-01  0.377599D+01 -0.263489D+01 -0.125656D+01
      2   0.196561D+01 -0.180079D+01 -0.263489D+01  0.274878D+01  0.642387D+00
      3  -0.180079D+01  0.227651D+01 -0.125656D+01  0.642387D+00  0.109864D+01
               121           122           123           124           125 
      1  -0.424615D+01  0.492741D+01  0.155028D+01 -0.157262D+01  0.132474D+01
      2   0.492741D+01 -0.731249D+01 -0.259029D+01  0.132474D+01 -0.203666D+01
      3   0.155028D+01 -0.259029D+01 -0.172198D+01  0.176356D+01 -0.181849D+01
               126           127           128           129           130 
      1   0.176356D+01  0.323166D+01  0.946178D+00 -0.170013D+01  0.215206D+01
      2  -0.181849D+01  0.946178D+00  0.114966D+01 -0.447482D+00  0.150980D+01
      3  -0.143334D+01 -0.170013D+01 -0.447482D+00  0.157933D+01 -0.840028D+00
               131           132           133           134           135 
      1   0.150980D+01 -0.840028D+00 -0.204147D+01 -0.159861D+00  0.159995D+01
      2   0.192937D+01 -0.144311D+01 -0.159861D+00 -0.117767D+01  0.750988D+00
      3  -0.144311D+01  0.168372D+01  0.159995D+01  0.750988D+00 -0.217820D+01
               136           137           138           139           140 
      1  -0.420482D+01 -0.279654D+01  0.135555D+01 -0.450292D+01 -0.492459D+01
      2  -0.279654D+01 -0.281698D+01  0.697126D+00 -0.492459D+01 -0.675793D+01
      3   0.135555D+01  0.697126D+00 -0.117316D+01  0.160619D+01  0.249391D+01
               141           142           143           144           145 
      1   0.160619D+01  0.169351D+01  0.134340D+01 -0.184369D+01 -0.306503D+01
      2   0.249391D+01  0.134340D+01  0.192368D+01 -0.174306D+01  0.967452D+00
      3  -0.167463D+01 -0.184369D+01 -0.174306D+01  0.143655D+01  0.164329D+01
               146           147           148           149           150 
      1   0.967452D+00  0.164329D+01  0.216135D+01 -0.156009D+01 -0.848774D+00
      2  -0.114961D+01 -0.455940D+00 -0.156009D+01  0.211657D+01  0.149944D+01
      3  -0.455940D+00 -0.150407D+01 -0.848774D+00  0.149944D+01  0.174844D+01
               151           152           153           154           155 
      1   0.202696D+01 -0.195158D+00 -0.156404D+01 -0.117314D+02 -0.195198D+01
      2  -0.195158D+00  0.119258D+01  0.817693D+00 -0.195198D+01 -0.126887D+01
      3  -0.156404D+01  0.817693D+00  0.217085D+01 -0.346091D+01 -0.490258D+00
               156           157           158           159           160 
      1  -0.346091D+01  0.639758D+00 -0.982927D+00  0.461837D+00 -0.333307D+01
      2  -0.490258D+00 -0.982927D+00 -0.727117D+00 -0.684727D+00 -0.542319D+00
      3  -0.220392D+01  0.461837D+00 -0.684727D+00 -0.115639D+00 -0.263496D+01
               161           162           163           164           165 
      1  -0.542319D+00 -0.263496D+01  0.258277D+00 -0.789183D+00 -0.997965D+00
      2  -0.582838D+00 -0.694347D+00 -0.789183D+00  0.132208D+01  0.488196D+00
      3  -0.694347D+00 -0.167041D+01 -0.997965D+00  0.488196D+00  0.751327D+00
               166           167           168           169           170 
      1  -0.103621D+01  0.612302D-01  0.522663D-01 -0.125955D+01 -0.266480D+00
      2   0.612302D-01 -0.458110D+01 -0.220335D+01 -0.266480D+00 -0.194300D+01
      3   0.522663D-01 -0.220335D+01 -0.223662D+01 -0.132929D+00 -0.179511D+01
               171           172           173           174           175 
      1  -0.132929D+00 -0.246922D+01  0.176859D+01  0.711582D-01  0.383764D+01
      2  -0.179511D+01  0.176859D+01 -0.238926D+01  0.403543D+00 -0.140893D+01
      3  -0.227239D+01  0.711582D-01  0.403543D+00 -0.452486D+00  0.152242D+01
               176           177           178           179           180 
      1  -0.140893D+01  0.152242D+01  0.182764D+01  0.492682D+00  0.313827D+00
      2   0.348591D+01 -0.194517D+00  0.492682D+00  0.111246D+00  0.703633D+00
      3  -0.194517D+00  0.125822D+01  0.313827D+00  0.703633D+00 -0.198827D+00
               181           182           183           184           185 
      1   0.153901D+01  0.386345D+00  0.276415D+00 -0.101467D+00 -0.695999D+00
      2   0.386345D+00 -0.627773D+00  0.487267D-01 -0.695999D+00  0.106089D+00
      3   0.276415D+00  0.487267D-01  0.807162D+00  0.303245D-01 -0.798743D+00
               186           187           188           189           190 
      1   0.303245D-01 -0.205161D+01 -0.241143D+00 -0.148598D+01  0.155681D+01
      2  -0.798743D+00 -0.241143D+00 -0.108123D+01  0.695453D+00  0.593063D-01
      3   0.139900D+00 -0.148598D+01  0.695453D+00 -0.748487D+01 -0.693205D+00
               191           192           193           194           195 
      1   0.593063D-01 -0.693205D+00 -0.189388D+01  0.822216D+00 -0.272184D-01
      2   0.228626D+01 -0.112316D+01  0.822216D+00 -0.624327D+01  0.100355D+01
      3  -0.112316D+01  0.762572D+00 -0.272184D-01  0.100355D+01 -0.111960D+01
               196           197           198           199           200 
      1  -0.985697D+00 -0.998662D+00  0.699235D+00 -0.395728D+00  0.261945D+00
      2  -0.998662D+00 -0.824836D+00 -0.183303D+00  0.261945D+00  0.752358D+00
      3   0.699235D+00 -0.183303D+00  0.297477D+00  0.449455D+00 -0.402217D+00
               201           202           203           204           205 
      1   0.449455D+00  0.634009D+00  0.119953D+01 -0.506667D+00  0.152132D+01
      2  -0.402217D+00  0.119953D+01  0.222017D+00  0.838975D-01  0.564556D+00
      3   0.316757D+00 -0.506667D+00  0.838975D-01  0.665250D+00 -0.362251D+00
               206           207           208           209           210 
      1   0.564556D+00 -0.362251D+00 -0.164963D+01 -0.203357D-01  0.639208D+00
      2   0.150709D+01 -0.150776D+01 -0.203357D-01 -0.255842D+01 -0.119120D+01
      3  -0.150776D+01  0.733943D+01  0.639208D+00 -0.119120D+01 -0.809165D+00
               211           212           213           214           215 
      1  -0.190618D+01 -0.101345D+01 -0.989145D-01  0.901855D+00 -0.999429D+00
      2  -0.101345D+01 -0.605383D+01 -0.939572D+00 -0.999429D+00  0.923456D+00
      3  -0.989145D-01 -0.939572D+00 -0.108162D+01 -0.706082D+00 -0.150899D+00
               216           217           218           219           220 
      1  -0.706082D+00  0.438226D+00  0.156750D+00 -0.488621D+00  0.505786D+00
      2  -0.150899D+00  0.156750D+00 -0.758343D+00 -0.384324D+00 -0.121951D+01
      3  -0.292331D+00 -0.488621D+00 -0.384324D+00 -0.290697D+00 -0.486665D+00
               221           222           223           224           225 
      1  -0.121951D+01 -0.486665D+00 -0.147170D+01  0.564827D+00  0.292372D+00
      2   0.355780D+00 -0.471892D-01  0.564827D+00 -0.155993D+01 -0.153223D+01
      3  -0.471892D-01  0.667968D+00  0.292372D+00 -0.153223D+01 -0.733702D+01
               226           227           228           229           230 
      1   0.277863D+01  0.181618D+01  0.791892D-02  0.383434D+01  0.130950D+01
      2   0.181618D+01  0.238090D+01  0.410972D+00  0.130950D+01  0.327105D+01
      3   0.791892D-02  0.410972D+00  0.503739D+00  0.152690D+01  0.110244D+00
               231           232           233           234           235 
      1   0.152690D+01 -0.178131D+01  0.565207D+00 -0.283808D+00 -0.150036D+01
      2   0.110244D+00  0.565207D+00 -0.157342D+00  0.716621D+00  0.507548D+00
      3   0.123694D+01 -0.283808D+00  0.716621D+00  0.198629D+00 -0.270964D+00
               236           237           238           239           240 
      1   0.507548D+00 -0.270964D+00  0.219570D-01  0.680966D+00  0.754046D-01
      2   0.592779D+00  0.943139D-01  0.680966D+00  0.200543D-01  0.792743D+00
      3   0.943139D-01 -0.800462D+00  0.754046D-01  0.792743D+00  0.174122D+00
               241           242           243           244           245 
      1   0.202718D+01 -0.282399D+00  0.151376D+01  0.123674D+01 -0.458323D+00
      2  -0.282399D+00  0.110300D+01  0.630302D+00 -0.458323D+00  0.100083D+00
      3   0.151376D+01  0.630302D+00  0.748093D+01  0.248049D+01  0.268796D+00
               246           247           248           249           250 
      1   0.248049D+01 -0.660667D+00  0.218140D+01  0.321749D+00  0.309433D+01
      2   0.268796D+00  0.218140D+01 -0.523799D+01 -0.493690D+01  0.870824D+00
      3   0.153632D+01  0.321749D+00 -0.493690D+01 -0.104649D+01  0.209909D+01
               251           252           253           254           255 
      1   0.870824D+00  0.209909D+01  0.743421D+00  0.150445D+01 -0.104198D+01
      2  -0.655755D+01 -0.215227D+01  0.150445D+01 -0.159906D+01 -0.100088D+01
      3  -0.215227D+01 -0.218748D+00 -0.104198D+01 -0.100088D+01 -0.130800D+01
               256           257           258           259           260 
      1   0.226644D+01 -0.444198D+01 -0.179387D+01 -0.358537D+00 -0.103762D+01
      2  -0.444198D+01  0.985750D+01  0.554060D+01 -0.103762D+01  0.325862D+01
      3  -0.179387D+01  0.554060D+01  0.137424D+01 -0.219091D+01  0.121669D+01
               261           262           263           264           265 
      1  -0.219091D+01  0.556646D+01  0.757618D+00 -0.267311D+01 -0.228945D-01
      2   0.121669D+01  0.757618D+00  0.258593D+01 -0.645106D+00  0.118519D+00
      3  -0.733783D+00 -0.267311D+01 -0.645106D+00  0.208848D+01  0.464592D+00
               266           267           268           269           270 
      1   0.118519D+00  0.464592D+00 -0.171478D+01  0.214009D+00  0.119460D+01
      2  -0.111356D+01  0.705205D+00  0.214009D+00  0.450139D+00  0.476376D-02
      3   0.705205D+00 -0.422918D+00  0.119460D+01  0.476376D-02 -0.184729D+01
               271           272           273           274           275 
      1  -0.477992D+00 -0.616681D+00 -0.718659D+00  0.125898D+00 -0.942679D+00
      2  -0.616681D+00 -0.251479D+01  0.118184D+01 -0.942679D+00 -0.258806D+00
      3  -0.718659D+00  0.118184D+01 -0.212730D+01  0.446577D+00 -0.159840D+00
               276           277           278           279           280 
      1   0.446577D+00 -0.107515D+01 -0.106964D+00 -0.507006D+00  0.425843D+01
      2  -0.159840D+00 -0.106964D+00 -0.167245D+01  0.136367D+01  0.125446D+01
      3   0.487006D+00 -0.507006D+00  0.136367D+01 -0.587659D+01  0.166148D+01
               281           282           283           284           285 
      1   0.125446D+01  0.166148D+01  0.544360D+00  0.126572D+01  0.101157D+00
      2   0.213650D+01  0.428534D+00  0.126572D+01  0.996446D+00  0.300324D+00
      3   0.428534D+00  0.150337D+01  0.101157D+00  0.300324D+00  0.272361D+00
               286           287           288           289           290 
      1   0.268923D+01  0.498728D+00  0.181804D+01  0.102712D+01  0.179964D+01
      2   0.498728D+00  0.867723D+00  0.992139D+00  0.179964D+01  0.132470D+01
      3   0.181804D+01  0.992139D+00  0.219742D+01 -0.419102D+00 -0.586467D+00
               291           292           293           294           295 
      1  -0.419102D+00  0.155305D+01  0.190799D+01 -0.664591D+00 -0.435489D+00
      2  -0.586467D+00  0.190799D+01  0.983817D+01 -0.318698D+01 -0.147750D+01
      3   0.495912D+00 -0.664591D+00 -0.318698D+01  0.203783D+01  0.105753D+01
               296           297           298           299           300 
      1  -0.147750D+01  0.105753D+01 -0.805422D+00  0.171017D+01  0.368805D+00
      2  -0.565450D+01  0.336991D+01  0.171017D+01 -0.103927D+01 -0.461056D+00
      3   0.336991D+01 -0.262084D+01  0.368805D+00 -0.461056D+00 -0.404609D+00
               301           302           303           304           305 
      1   0.143735D+01 -0.161123D+01 -0.539414D+00  0.314588D+00 -0.124057D+01
      2  -0.161123D+01  0.100492D+02  0.323566D+01 -0.124057D+01  0.577388D+01
      3  -0.539414D+00  0.323566D+01  0.205670D+01 -0.906751D+00  0.341219D+01
               306           307           308           309           310 
      1  -0.906751D+00 -0.412235D+01  0.128864D+01 -0.163567D+01  0.618178D+00
      2   0.341219D+01  0.128864D+01 -0.219942D+01  0.489712D+00 -0.129993D+01
      3   0.261869D+01 -0.163567D+01  0.489712D+00 -0.148976D+01  0.159984D+00
               311           312           313           314           315 
      1  -0.129993D+01  0.159984D+00 -0.264150D+01  0.577631D+00 -0.177244D+01
      2   0.121004D+01 -0.326044D+00  0.577631D+00 -0.912978D+00  0.107101D+01
      3  -0.326044D+00  0.338446D+00 -0.177244D+01  0.107101D+01 -0.219741D+01
               316           317           318           319           320 
      1  -0.549078D+01  0.881064D+00  0.266184D+01  0.207375D+00 -0.207121D+00
      2   0.881064D+00 -0.270841D+01 -0.795332D+00 -0.207121D+00 -0.983071D+00
      3   0.266184D+01 -0.795332D+00 -0.210771D+01  0.315369D+00 -0.689526D+00
               321           322           323           324           325 
      1   0.315369D+00  0.173356D+01  0.116504D+00 -0.119547D+01  0.435889D+00
      2  -0.689526D+00  0.116504D+00 -0.462573D+00  0.596076D-01 -0.482090D+00
      3  -0.328624D+00 -0.119547D+01  0.596076D-01  0.185039D+01  0.790045D+00
               326           327           328           329           330 
      1  -0.482090D+00  0.790045D+00  0.189986D+00  0.945099D+00  0.418594D+00
      2   0.254749D+01  0.115337D+01  0.945099D+00 -0.455700D+00  0.886641D-01
      3   0.115337D+01  0.214537D+01  0.418594D+00  0.886641D-01  0.394068D+00
               331           332           333 
      1   0.106499D+01 -0.797235D-01  0.568565D+00
      2  -0.797235D-01  0.167600D+01  0.133885D+01
      3   0.568565D+00  0.133885D+01  0.587134D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.336453D+00  0.209274D+01 -0.310188D+01  0.313032D+01  0.582112D+01
      2   0.263293D+01 -0.802141D-01  0.997528D+01 -0.534829D+00 -0.124323D+02
      3  -0.280587D+01 -0.102770D+02 -0.166693D+01 -0.613892D+01  0.518360D+01
                 6             7             8             9            10 
      1  -0.259307D+01 -0.275302D+00 -0.777555D+00 -0.680332D+00 -0.408614D+01
      2  -0.345067D+01  0.251893D+01  0.900099D+00  0.153941D+00  0.100419D+02
      3   0.949442D+01 -0.124548D+01  0.103252D+02  0.343897D+01  0.407219D+01
                11            12            13            14            15 
      1   0.486036D+01 -0.100254D-01  0.469599D+01 -0.104811D+01 -0.779330D+01
      2  -0.400419D+01  0.444287D+01 -0.540428D+01 -0.440876D-01  0.628354D+01
      3   0.622263D+01  0.762939D+01  0.972274D+01 -0.611765D+01 -0.630700D+01
                16            17            18            19            20 
      1  -0.136406D+01 -0.139578D+01 -0.433968D+00 -0.270275D-01 -0.137620D+01
      2   0.166911D+01  0.711959D+00 -0.149110D+00 -0.135818D+02 -0.669355D+01
      3   0.825631D+01 -0.663523D+01 -0.327992D+01 -0.156527D+02 -0.129091D+02
                21            22            23            24            25 
      1   0.642694D+01  0.744380D+01  0.215708D+02 -0.538269D+01  0.129008D+02
      2   0.200595D+00 -0.324695D+01  0.472953D+01 -0.576849D+01 -0.119708D+02
      3   0.431838D+01  0.661383D+01  0.229417D+02 -0.776477D+01  0.312663D+01
                26            27            28            29            30 
      1   0.172955D+02 -0.211792D+02 -0.181339D+00 -0.373498D+01  0.344134D-01
      2  -0.110997D+02  0.123075D+02 -0.348150D+01  0.271438D+00 -0.833174D+00
      3  -0.167149D+01  0.590067D+00  0.751407D-02 -0.418553D-01 -0.432092D-01
                31            32            33            34            35 
      1  -0.190081D+01  0.204699D+00  0.130708D+01 -0.892326D-01 -0.171441D+01
      2   0.771571D-01  0.129598D+01  0.551381D-02  0.218174D+01  0.125294D+00
      3  -0.183301D+01 -0.227049D-01  0.144936D+01  0.471342D-01  0.754350D+00
                36            37            38            39            40 
      1   0.772290D-01 -0.317419D+00 -0.204334D+01 -0.659096D+01  0.667457D+01
      2  -0.405239D+00 -0.130735D+02  0.751978D+01  0.736609D+00  0.376631D+01
      3  -0.221211D-01  0.152191D+02 -0.145909D+02 -0.461758D+01  0.491603D+01
                41            42            43            44            45 
      1  -0.215966D+02 -0.483357D+01 -0.125640D+02  0.183751D+02  0.216485D+02
      2   0.518392D+01  0.596508D+01 -0.108807D+02  0.107722D+02  0.113139D+02
      3  -0.225758D+02 -0.755016D+01 -0.318647D+01 -0.143891D+01 -0.594282D+00
                46            47            48            49            50 
      1   0.495017D+01  0.485481D+01 -0.162387D+00  0.474598D+01  0.628911D+00
      2   0.102378D+02  0.334986D+01  0.418210D+01  0.473422D+01 -0.448297D+00
      3  -0.338776D+01  0.659008D+01 -0.790927D+01  0.101079D+02  0.539556D+01
                51            52            53            54            55 
      1  -0.806415D+01  0.136110D+01 -0.149579D+01  0.439436D+00  0.640246D+00
      2  -0.613690D+01  0.155623D+01 -0.727184D+00 -0.156864D+00  0.262564D+01
      3  -0.596940D+01 -0.853204D+01 -0.629309D+01  0.330265D+01  0.214434D+01
                56            57            58            59            60 
      1   0.178140D+01  0.339901D+01  0.286000D+01 -0.658480D+01 -0.258926D+01
      2  -0.646049D+00  0.996879D+01 -0.221671D+00 -0.121624D+02  0.314123D+01
      3  -0.105626D+02  0.208487D+01 -0.642873D+01 -0.443462D+01  0.941122D+01
                61            62            63            64            65 
      1   0.336843D+00 -0.828249D+00  0.671813D+00 -0.691267D+01 -0.996946D+01
      2   0.246162D+01 -0.959870D+00  0.109422D+00  0.186804D+02 -0.206864D+01
      3   0.170138D+01  0.102708D+02 -0.344876D+01  0.108011D+02  0.881347D+01
                66            67            68            69            70 
      1  -0.529175D+01 -0.169395D+02  0.275932D+01 -0.705236D+01 -0.269953D+01
      2   0.390558D+00  0.541365D+01  0.541764D+01  0.511013D+01 -0.262015D+02
      3   0.440835D+01  0.271046D+02 -0.293800D+01  0.756162D+01 -0.316409D+00
                71            72            73            74            75 
      1   0.229068D+01 -0.302096D+00  0.657548D+01 -0.102851D+02  0.503490D+01
      2   0.284640D+01 -0.251971D+02  0.183398D+02  0.198197D+01 -0.458736D-01
      3   0.397715D+01  0.786806D+00 -0.930067D+01  0.938269D+01 -0.411808D+01
                76            77            78            79            80 
      1  -0.176090D+02 -0.139248D+01 -0.750463D+01  0.171944D+01  0.208182D+01
      2  -0.515904D+01  0.568286D+01 -0.480623D+01 -0.263788D+02 -0.185555D+01
      3   0.277000D+02  0.142779D+01  0.776479D+01  0.384510D+00  0.397392D+01
                81            82            83            84            85 
      1  -0.773278D+00 -0.490005D+01  0.321172D+01  0.183904D+01  0.154683D+01
      2  -0.252018D+02 -0.143768D+02 -0.138249D+02  0.135265D+02 -0.476703D+01
      3  -0.801259D+00 -0.197499D+02 -0.222848D+02  0.144541D+02 -0.295686D+01
                86            87            88            89            90 
      1   0.142026D+02  0.372873D+01  0.823656D+01  0.229656D+02 -0.143854D+02
      2  -0.356942D-01 -0.396197D+01 -0.278433D+01 -0.135583D+02  0.114432D+02
      3   0.108991D+02  0.203870D+00  0.750884D+01 -0.158936D+01  0.277637D+01
                91            92            93            94            95 
      1   0.808308D+01  0.339145D+01  0.727204D+01  0.479864D+01 -0.894908D+01
      2  -0.203413D+01  0.101189D+01 -0.270752D+00 -0.581124D-01  0.257740D+01
      3  -0.739263D+01 -0.133627D+01 -0.617661D+01  0.499712D+01  0.118812D+01
                96            97            98            99           100 
      1  -0.545686D+01  0.559677D+01 -0.314807D+01  0.164225D+01  0.821346D+00
      2  -0.475517D+00 -0.356399D+01  0.404652D+00 -0.467821D+00 -0.373369D+01
      3  -0.735197D+01 -0.111809D+02 -0.769466D+01 -0.622183D+01 -0.810013D+01
               101           102           103           104           105 
      1   0.205621D+01  0.287524D+01 -0.396559D+00  0.114814D+01 -0.112005D+01
      2   0.176642D+01  0.465234D+01 -0.227754D+01  0.197610D+01 -0.170085D+01
      3  -0.404387D+01 -0.343889D+01 -0.585098D+00 -0.397546D+00 -0.175739D+01
               106           107           108           109           110 
      1   0.208623D+01  0.106452D+01  0.141205D+01  0.141421D+01 -0.145130D+01
      2   0.210515D+01 -0.464534D+00  0.247664D+01  0.495434D+01  0.238394D+01
      3  -0.133375D+01 -0.286591D+01 -0.100063D+01  0.539464D+01  0.569523D+01
               111           112           113           114           115 
      1  -0.192450D+01 -0.329325D+00 -0.143110D+01 -0.305958D+01 -0.308577D+00
      2  -0.367412D+01  0.150340D+01  0.678015D+01 -0.647501D+01 -0.326047D+01
      3  -0.361904D+01  0.493548D+01  0.131213D+02 -0.667263D+01 -0.178157D+01
               116           117           118           119           120 
      1   0.151188D+00  0.222369D+01 -0.801042D+00 -0.235005D+00  0.217405D+01
      2  -0.499329D+01  0.614743D+01 -0.103415D+01  0.684592D+00  0.369266D+01
      3  -0.555514D+01  0.585249D+01  0.238115D+00 -0.375502D+01  0.449157D-01
               121           122           123           124           125 
      1  -0.291546D+01  0.302992D+01 -0.232194D+01  0.125571D+01 -0.490078D+00
      2  -0.336994D+01 -0.220632D+00 -0.347550D+01  0.847019D+00 -0.287320D+01
      3  -0.295828D+00  0.897130D+01  0.385228D+01  0.183864D+01  0.245292D+01
               126           127           128           129           130 
      1  -0.143889D+01 -0.441022D+01 -0.180634D+01  0.281456D+01 -0.291005D+01
      2  -0.218733D+01 -0.230848D+01  0.240477D+00  0.379143D+01  0.856012D+00
      3   0.100570D+01 -0.768362D+01 -0.625169D+01  0.446430D+01 -0.684904D+01
               131           132           133           134           135 
      1  -0.583389D+01  0.387541D+01  0.275404D+01  0.442925D+01 -0.432665D+01
      2  -0.340267D+01  0.563358D+01  0.127457D+01  0.258178D+01 -0.490006D+01
      3  -0.112958D+02  0.610531D+01  0.415638D+01  0.434217D+01 -0.584157D+01
               136           137           138           139           140 
      1   0.618276D+00 -0.421074D+00 -0.210353D+01 -0.292799D+01 -0.289826D+01
      2  -0.946432D+00 -0.639808D+00  0.393844D+01  0.353478D+01 -0.212141D+00
      3  -0.426913D+00 -0.412628D+01  0.122914D+00 -0.670948D+00 -0.877357D+01
               141           142           143           144           145 
      1  -0.207904D+01 -0.122984D+01 -0.308836D+00  0.134404D+01  0.410069D+01
      2   0.340776D+01  0.102235D+01  0.285030D+01 -0.225174D+01 -0.253270D+01
      3   0.385271D+01 -0.172983D+01  0.253242D+01 -0.101036D+01  0.713234D+01
               146           147           148           149           150 
      1  -0.176614D+01 -0.248229D+01 -0.287808D+01  0.588716D+01  0.372922D+01
      2  -0.211571D+00  0.366480D+01 -0.777190D+00 -0.360531D+01 -0.595101D+01
      3  -0.610969D+01 -0.419379D+01 -0.668294D+01  0.118761D+02  0.629114D+01
               151           152           153           154           155 
      1  -0.250268D+01  0.442394D+01  0.409280D+01 -0.909624D+00  0.197045D+01
      2   0.126879D+01 -0.282844D+01 -0.506837D+01 -0.364971D+01 -0.160486D+01
      3  -0.395634D+01  0.452626D+01  0.583463D+01  0.787537D+01 -0.436186D+01
               156           157           158           159           160 
      1  -0.271880D+01 -0.308627D+00 -0.113446D+01 -0.930069D+00 -0.194040D+01
      2   0.485023D+01  0.253939D+01  0.199821D+01  0.154157D+01  0.220770D+01
      3   0.335931D+01 -0.899934D+00  0.602253D+00 -0.190504D+01  0.120365D+01
               161           162           163           164           165 
      1   0.117234D+01 -0.130680D+01 -0.127008D+01 -0.142612D+01  0.164156D+01
      2   0.321513D+00  0.254599D+01  0.486971D+01 -0.225426D+01 -0.346854D+01
      3  -0.292610D+01  0.100084D+01 -0.498433D+01  0.536531D+01  0.333692D+01
               166           167           168           169           170 
      1  -0.262373D+00  0.181230D+01 -0.285879D+01  0.184488D+00  0.359097D+00
      2  -0.143748D+01  0.688306D+01  0.675784D+01 -0.306022D+01  0.511390D+01
      3   0.462330D+01 -0.135974D+02 -0.682952D+01  0.154866D+01 -0.562238D+01
               171           172           173           174           175 
      1  -0.195482D+01 -0.216487D+01  0.288122D+01 -0.200090D+00  0.454134D+01
      2   0.622299D+01 -0.172123D+01  0.184265D+01  0.193957D+01  0.549209D+01
      3  -0.584578D+01  0.281124D+01 -0.497029D+01  0.286260D+00 -0.426202D+01
               176           177           178           179           180 
      1  -0.758820D+01  0.273518D+00  0.149903D+01 -0.619654D+00 -0.319523D+00
      2  -0.164727D+01  0.194127D+00  0.386937D+01 -0.108718D+01  0.916761D+00
      3   0.103964D+02 -0.149737D+01 -0.785846D+00  0.214642D+01  0.489079D+00
               181           182           183           184           185 
      1  -0.213753D+01 -0.796896D+00 -0.980263D+00  0.359188D-01 -0.643401D+00
      2   0.111378D+00  0.814367D+00 -0.357151D+01 -0.695883D+00  0.189475D+01
      3   0.170930D+01  0.197591D-01  0.428008D+00  0.661962D+00  0.640043D+00
               186           187           188           189           190 
      1   0.755746D+00  0.103582D+01  0.279710D+01 -0.488942D+00  0.663254D+00
      2  -0.523427D+00  0.272745D+00 -0.241983D+01  0.162905D+02 -0.306309D+01
      3  -0.169765D+01 -0.142023D+01 -0.248064D+01  0.171838D+01 -0.386822D+01
               191           192           193           194           195 
      1   0.494057D+01 -0.102004D+01  0.117837D+01 -0.737249D+01 -0.117349D+01
      2   0.219888D+01  0.117392D+00  0.275267D+01 -0.333693D+01  0.136955D+01
      3   0.504415D+01 -0.175925D+01  0.548755D+01 -0.917896D+01  0.141155D+01
               196           197           198           199           200 
      1  -0.869103D+00 -0.362845D+01  0.200995D+00  0.382407D+00 -0.146071D+01
      2  -0.196742D-01  0.816177D+00 -0.724861D+00 -0.172252D+01  0.440103D+00
      3   0.100169D+01 -0.140642D+01 -0.639600D+00 -0.114125D+01 -0.104480D+01
               201           202           203           204           205 
      1   0.143071D+01 -0.916253D+00 -0.270233D+00  0.307420D+01 -0.266451D+00
      2  -0.116698D+01 -0.915852D+00 -0.139986D+01 -0.588103D+00 -0.307913D+01
      3  -0.121723D+01 -0.388350D+00 -0.118412D+01  0.130630D+01 -0.282914D+01
               206           207           208           209           210 
      1  -0.981137D+00  0.133918D+02 -0.510511D+00  0.518843D+01  0.950618D+00
      2   0.135626D+01 -0.929092D+01 -0.329368D+01 -0.242241D+01  0.332181D-01
      3   0.120912D+00 -0.149384D+01  0.439538D+01  0.524024D+01  0.180257D+01
               211           212           213           214           215 
      1   0.139590D+01  0.693868D+01 -0.128593D+01  0.711088D+00 -0.371994D+01
      2  -0.281764D+01 -0.341753D+01 -0.131813D+01 -0.675862D-01 -0.647271D+00
      3   0.571779D+01  0.871180D+01  0.132235D+01 -0.107217D+01 -0.136730D+01
               216           217           218           219           220 
      1  -0.232836D+00 -0.558589D+00 -0.145565D+01 -0.135125D+01 -0.835572D+00
      2  -0.718572D+00 -0.167999D+01 -0.367538D+00 -0.108473D+01  0.966224D+00
      3   0.634688D+00  0.108426D+01 -0.103846D+01  0.127813D+01 -0.383309D+00
               221           222           223           224           225 
      1   0.313231D+00  0.313145D+01  0.854293D-01 -0.107716D+01 -0.137800D+02
      2  -0.143852D+01  0.491892D+00 -0.312833D+01 -0.118875D+01 -0.869480D+01
      3   0.125027D+01  0.124958D+01  0.283159D+01  0.873709D-03  0.151214D+01
               226           227           228           229           230 
      1   0.235771D+01  0.305262D+01  0.253359D+00  0.451079D+01  0.721485D+01
      2  -0.211135D+01 -0.200194D+01  0.195323D+01 -0.566076D+01 -0.167401D+01
      3  -0.315844D+01 -0.530809D+01 -0.296579D+00 -0.456513D+01 -0.100186D+02
               231           232           233           234           235 
      1   0.243667D+00 -0.136383D+01 -0.500675D+00  0.345659D+00  0.209299D+01
      2  -0.267740D+00  0.397857D+01  0.944487D+00  0.909172D+00  0.213372D-01
      3  -0.146177D+01  0.898097D+00  0.211413D+01 -0.484070D+00 -0.167263D+01
               236           237           238           239           240 
      1  -0.884287D+00  0.861819D+00  0.218320D-02  0.758477D+00  0.739506D+00
      2  -0.690931D+00 -0.358465D+01  0.782718D+00  0.186911D+01  0.643473D+00
      3   0.661773D-01 -0.501760D+00  0.709275D+00 -0.665797D+00 -0.167809D+01
               241           242           243           244           245 
      1  -0.899061D+00  0.293107D+01  0.118780D+01 -0.777660D+01  0.408663D+01
      2   0.426034D+00  0.227916D+01  0.162459D+02 -0.171656D+01 -0.986210D+00
      3   0.131429D+01 -0.254121D+01 -0.171322D+01  0.755057D+01 -0.172975D+01
               246           247           248           249           250 
      1  -0.751344D+01  0.553434D+01  0.866101D+01 -0.509733D+01 -0.588018D+01
      2   0.842299D-01  0.179407D-01  0.222332D+01  0.708590D+00 -0.332149D+01
      3   0.584838D+01  0.461125D+01 -0.133401D+01 -0.761307D+01  0.108312D+02
               251           252           253           254           255 
      1  -0.289855D+01 -0.165153D+01  0.446308D+01  0.299485D+01 -0.107108D+01
      2  -0.117384D+00 -0.390024D+00 -0.137022D+02  0.142670D+02  0.137225D+02
      3  -0.819516D+01  0.621654D+01  0.185493D+02 -0.235576D+02 -0.144050D+02
               256           257           258           259           260 
      1   0.902700D+00 -0.144027D+02  0.395699D+01 -0.731730D+01  0.238737D+02
      2   0.530870D+01 -0.247648D+00  0.317620D+01 -0.188019D+01  0.126072D+02
      3  -0.423588D+01 -0.973252D+01  0.854281D+00 -0.753032D+01 -0.124727D+01
               261           262           263           264           265 
      1   0.148368D+02  0.547890D+01 -0.342744D+01 -0.385645D+01 -0.179666D+01
      2   0.107684D+02  0.732653D+01  0.708529D+00 -0.162132D+01 -0.240254D+01
      3  -0.275728D+01  0.125888D+02 -0.285605D+01 -0.565972D+01 -0.344102D+01
               266           267           268           269           270 
      1   0.274587D+01  0.114748D-01 -0.322293D+01  0.119797D+01  0.297099D+01
      2  -0.103970D+01  0.872790D+00 -0.835043D+00  0.278491D+00  0.352637D+00
      3   0.186905D+01  0.182668D+01 -0.261239D+01 -0.907475D-01  0.311633D+01
               271           272           273           274           275 
      1   0.129723D+01  0.749496D+00  0.396965D+01 -0.612618D+00  0.223057D+00
      2  -0.134797D+01  0.334348D+01 -0.509369D+01  0.135133D+01  0.634551D+00
      3  -0.414732D+00  0.309875D+01 -0.334229D+01  0.192998D+01  0.107536D+01
               276           277           278           279           280 
      1  -0.368580D+00  0.807102D+00  0.172653D+00  0.942639D+01 -0.687011D+01
      2  -0.261142D+00 -0.276956D+01  0.225193D+01 -0.830223D+01  0.255671D+01
      3   0.304953D+00 -0.130967D+01  0.210327D+01 -0.248197D+01  0.142911D+02
               281           282           283           284           285 
      1  -0.147204D+01 -0.549553D+01 -0.502544D+00 -0.125647D+01 -0.847111D+00
      2   0.570959D+00  0.359847D+01  0.771304D-01  0.506267D+00  0.913228D-01
      3  -0.676287D+00  0.586423D+01 -0.310591D-01  0.477864D+01 -0.285126D+00
               286           287           288           289           290 
      1  -0.644824D+01 -0.925826D+00 -0.882310D+01  0.694902D-01  0.265983D+00
      2   0.134860D+01  0.139484D+01  0.340190D+01  0.180476D+00  0.371068D+00
      3   0.980051D+01 -0.255447D+00  0.514059D+01  0.213601D+01  0.375322D+01
               291           292           293           294           295 
      1  -0.176334D+01  0.158980D+01  0.345787D+01 -0.690476D+01 -0.137869D+01
      2   0.733697D+00  0.249179D+00 -0.170755D+01  0.169857D+01 -0.805289D+00
      3  -0.111475D+01  0.501875D+01 -0.313322D+01  0.202081D+00 -0.693945D+00
               296           297           298           299           300 
      1  -0.132769D+01  0.674300D+01  0.115592D-01  0.896573D-01  0.148181D+01
      2   0.156250D+01 -0.170390D+01  0.149723D+00 -0.457543D+00  0.591132D+00
      3   0.411343D+01  0.210745D+00 -0.173766D+01  0.397193D+01  0.112358D+01
               301           302           303           304           305 
      1   0.142097D+01 -0.360493D+01 -0.704690D+01  0.128000D+01 -0.145815D+01
      2  -0.393978D+00 -0.151652D+01 -0.141833D+01 -0.929450D+00 -0.146120D+01
      3   0.523618D+01  0.273403D+01  0.149985D+00  0.875239D+00  0.407710D+01
               306           307           308           309           310 
      1  -0.681075D+01  0.687453D+01 -0.175408D+01  0.560464D+01 -0.751198D+00
      2  -0.140296D+01  0.222222D+01 -0.585088D+00  0.334141D+01 -0.128253D+00
      3  -0.212462D+00 -0.143076D+02 -0.242410D+00 -0.586876D+01  0.402469D+00
               311           312           313           314           315 
      1   0.137527D+01 -0.110486D+01  0.644624D+01 -0.127121D+01  0.896012D+01
      2   0.473777D+00 -0.206082D+00  0.998157D+00 -0.139545D+01  0.300586D+01
      3  -0.476173D+01 -0.248483D-01 -0.979607D+01  0.185895D+00 -0.513955D+01
               316           317           318           319           320 
      1  -0.537213D+01 -0.334160D+01  0.377766D+01 -0.158100D+01 -0.256642D+01
      2   0.761929D+01 -0.944374D+00 -0.182869D+01  0.209201D+01 -0.990959D+00
      3  -0.128470D+02 -0.236651D+01  0.574615D+01 -0.296235D+01 -0.161555D+01
               321           322           323           324           325 
      1  -0.192167D+00  0.323010D+01  0.103859D+01 -0.295878D+01 -0.135223D+01
      2  -0.793884D+00 -0.100402D+01 -0.297221D+00  0.474126D+00 -0.146838D+01
      3   0.158330D+01  0.261477D+01 -0.198593D+00 -0.311238D+01  0.633042D+00
               326           327           328           329           330 
      1   0.639164D+00 -0.420441D+01 -0.625234D+00 -0.179374D+00 -0.165887D+00
      2  -0.328348D+01 -0.488467D+01 -0.124593D+01  0.853337D+00  0.486231D+00
      3   0.302113D+01  0.334800D+01  0.185252D+01 -0.128668D+01  0.159104D+00
               331           332           333 
      1  -0.908839D+00  0.103356D+00 -0.976845D+01
      2  -0.280438D+01 -0.214297D+01 -0.786362D+01
      3   0.137306D+01  0.205787D+01  0.247388D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.456601D+02 -0.787685D+01 -0.258840D+02 -0.250310D+01  0.185705D+02
      2   0.290671D+02  0.932734D+01  0.142438D+02  0.621625D+01 -0.951600D+01
      3   0.165930D+02 -0.145049D+01  0.116402D+02 -0.371316D+01 -0.905453D+01
      4  -0.192932D+02  0.868976D+01 -0.941277D+01  0.112453D+02  0.548237D+01
      5  -0.292797D+02 -0.251462D+01 -0.589763D+01  0.349617D+01 -0.885101D+01
      6  -0.811242D+01  0.584822D+01 -0.123577D+00  0.418081D+01 -0.956772D+01
                 6             7             8             9            10 
      1   0.752342D+01 -0.195608D+02  0.616540D+01 -0.976750D+00  0.101179D+02
      2  -0.997703D+01  0.113144D+02 -0.816599D+01 -0.353376D+01 -0.693346D+01
      3   0.245361D+01  0.824645D+01  0.200060D+01  0.451051D+01 -0.318441D+01
      4  -0.860507D+01 -0.424077D+01 -0.601157D+01 -0.437483D+01 -0.201024D+01
      5  -0.486478D+01 -0.680748D+01 -0.380351D+01  0.341160D+01  0.119159D+02
      6  -0.966100D+01 -0.275208D+00 -0.779871D+01  0.333830D-01  0.916910D+01
                11            12            13            14            15 
      1   0.189501D+01  0.145585D+02  0.121387D+00 -0.180746D+02 -0.257817D+01
      2  -0.109474D+02 -0.570541D+01 -0.118195D+02  0.425502D+01  0.104870D+02
      3   0.905242D+01 -0.885307D+01  0.116981D+02  0.138196D+02 -0.790887D+01
      4  -0.238501D+02  0.760511D+01 -0.294976D+02 -0.260120D+02  0.198085D+02
      5   0.251721D+00 -0.955890D+01  0.219149D+01  0.223058D+02  0.380346D+01
      6   0.522659D+01 -0.994013D+00  0.111342D+02  0.128028D+02 -0.316408D+01
                16            17            18            19            20 
      1   0.953352D+01 -0.449137D+01 -0.590854D+01  0.145342D+01  0.366664D+01
      2  -0.294611D+01  0.986419D+01  0.232908D+01 -0.481647D+01  0.153784D+01
      3  -0.658741D+01 -0.537282D+01  0.357946D+01  0.336305D+01 -0.520448D+01
      4   0.447245D+01  0.144202D+02  0.367158D+00  0.838296D+01  0.148071D+02
      5  -0.868839D+01  0.208731D+01 -0.265442D+01 -0.434863D+01 -0.295206D+01
      6  -0.157348D+01 -0.422524D+01 -0.311599D+01 -0.833650D+01 -0.686309D+01
                21            22            23            24            25 
      1  -0.733526D+01 -0.124235D+01  0.160784D+02 -0.969867D+00 -0.164445D+01
      2   0.470973D+01  0.397765D+01 -0.194849D+02  0.270709D+01  0.204771D+01
      3   0.262553D+01 -0.273531D+01  0.340645D+01 -0.173722D+01 -0.403262D+00
      4  -0.953684D+01  0.941792D+01  0.927025D+01 -0.535275D+01 -0.495855D+01
      5   0.499550D+01 -0.121593D+01 -0.708364D+01  0.282190D+01  0.523913D+01
      6   0.254629D+01 -0.701333D+01 -0.742206D+00  0.549111D+01  0.107209D+01
                26            27            28            29            30 
      1  -0.176876D+01  0.110576D+02 -0.110461D+02  0.706839D-01  0.474721D+01
      2   0.147233D+01  0.465084D+01  0.308465D+01 -0.658470D-01 -0.612173D+01
      3   0.296434D+00 -0.157084D+02  0.796141D+01 -0.483688D-02  0.137452D+01
      4  -0.218362D+01  0.185060D+01  0.244179D-01 -0.618059D+01 -0.364744D+00
      5   0.524288D+00  0.604083D+01  0.296710D+01 -0.213089D+00 -0.287687D+01
      6   0.360357D+01  0.601550D+01 -0.203104D+00 -0.345521D+01 -0.312623D-02
                31            32            33            34            35 
      1  -0.334349D-01  0.258338D+01 -0.384688D+00  0.841231D+01 -0.563418D+00
      2   0.304215D-01 -0.994699D+01  0.417635D+00 -0.916479D+01  0.593643D+00
      3   0.301335D-02  0.736361D+01 -0.329468D-01  0.752482D+00 -0.302250D-01
      4  -0.759556D+01 -0.910233D-02 -0.628826D+01 -0.581170D+00 -0.883108D+01
      5  -0.207611D+00 -0.370284D+01  0.876843D-02  0.473564D+01 -0.160774D-01
      6  -0.339663D+01  0.248346D+00 -0.245332D+01 -0.982314D-02  0.373253D+01
                36            37            38            39            40 
      1  -0.255241D+00  0.698395D+00 -0.176603D+01 -0.645190D+01  0.267795D+01
      2  -0.292549D+00 -0.439659D+01 -0.344367D+01  0.377622D+01 -0.541528D+01
      3   0.547789D+00  0.369819D+01  0.520969D+01  0.267568D+01  0.273733D+01
      4   0.736829D-02 -0.759420D+01  0.146949D+02  0.975902D+01  0.899888D+01
      5   0.891801D+00 -0.382965D+01  0.249688D+01  0.475767D+01  0.754354D+00
      6  -0.303025D-01  0.788322D+01 -0.724889D+01 -0.251789D+01 -0.733277D+01
                41            42            43            44            45 
      1   0.151744D+02  0.775248D+00 -0.114770D+01  0.163108D+01  0.109051D+02
      2  -0.182437D+02 -0.234810D+01  0.157627D+01 -0.129755D+01  0.480715D+01
      3   0.306925D+01  0.157285D+01 -0.428574D+00 -0.333529D+00 -0.157123D+02
      4  -0.118297D+02 -0.591391D+01  0.501057D+01 -0.253747D+01 -0.211138D+01
      5  -0.718559D+01 -0.275738D+01  0.516028D+01 -0.564633D+00  0.575775D+01
      6   0.171156D+01  0.571810D+01 -0.114487D+01  0.366269D+01 -0.631616D+01
                46            47            48            49            50 
      1   0.998909D+01 -0.503306D+01  0.140050D+02 -0.373377D+01 -0.153925D+02
      2  -0.592316D+01  0.133259D+02 -0.554741D+01  0.146874D+02  0.700015D+00
      3  -0.406592D+01 -0.829287D+01 -0.845761D+01 -0.109536D+02  0.146925D+02
      4  -0.958011D+00 -0.219912D+02 -0.759596D+01 -0.276384D+02  0.291263D+02
      5   0.114242D+02  0.433297D+00 -0.968033D+01 -0.123895D+01  0.217582D+02
      6  -0.896282D+01  0.500578D+01  0.128428D+01  0.109885D+02 -0.144622D+02
                51            52            53            54            55 
      1   0.367176D+01  0.934814D+01  0.531855D+01 -0.595132D+01 -0.432678D+02
      2  -0.119646D+02 -0.302565D+01 -0.109741D+02  0.237930D+01  0.264934D+02
      3   0.829281D+01 -0.632249D+01  0.565551D+01  0.357203D+01  0.167744D+02
      4   0.194906D+02 -0.436800D+01  0.139194D+02 -0.400502D-01  0.231641D+02
      5  -0.356929D+01 -0.869570D+01 -0.194434D+01 -0.248704D+01 -0.288485D+02
      6  -0.303341D+01  0.176015D+01 -0.417838D+01  0.323810D+01  0.976694D+01
                56            57            58            59            60 
      1   0.111951D+02 -0.252983D+02  0.602428D+01  0.173934D+02 -0.717215D+01
      2  -0.115374D+02  0.137936D+02 -0.864500D+01 -0.815857D+01  0.101036D+02
      3   0.342325D+00  0.115047D+02  0.262072D+01 -0.923483D+01 -0.293149D+01
      4   0.663744D+01  0.107309D+02  0.956319D+01 -0.743442D+01 -0.827735D+01
      5   0.362665D+01 -0.565040D+01 -0.247021D+01 -0.843948D+01  0.469825D+01
      6   0.574473D+01 -0.706972D-01  0.434006D+01  0.950086D+01 -0.987594D+01
                61            62            63            64            65 
      1  -0.193689D+02 -0.584327D+01 -0.556818D+00  0.111553D+02 -0.698881D+01
      2   0.112374D+02  0.817443D+01 -0.393724D+01 -0.104552D+02  0.608482D+01
      3   0.813148D+01 -0.233116D+01  0.449406D+01 -0.700102D+00  0.903983D+00
      4   0.528317D+01 -0.559475D+01  0.424341D+01 -0.216618D+02 -0.578588D+01
      5  -0.659856D+01  0.376209D+01  0.339961D+01  0.118573D+02 -0.532303D+01
      6   0.207153D+00 -0.798872D+01 -0.157914D+00 -0.382144D+01 -0.463217D+01
                66            67            68            69            70 
      1   0.678029D+01 -0.115106D+02 -0.861346D+01 -0.383626D+01  0.369296D+01
      2  -0.661765D+01  0.803117D+01  0.143768D+01  0.177053D+01 -0.308197D+01
      3  -0.162647D+00  0.347948D+01  0.717578D+01  0.206574D+01 -0.610995D+00
      4  -0.911793D+01  0.797991D+00 -0.480808D+01  0.703939D+01 -0.462036D+01
      5   0.815354D+01 -0.608932D+01  0.220291D+01 -0.164461D+01  0.480654D+01
      6  -0.148176D+01 -0.231165D+01 -0.203575D+01  0.331512D+01 -0.135710D+01
                71            72            73            74            75 
      1  -0.135441D+01  0.888521D+01  0.137086D+02  0.554535D+01  0.772758D+01
      2   0.304107D+01  0.802957D+01 -0.128466D+02 -0.498492D+01 -0.748057D+01
      3  -0.168666D+01 -0.169148D+02 -0.862028D+00 -0.560420D+00 -0.247007D+00
      4   0.230763D+01 -0.504137D+01  0.203438D+02 -0.699976D+01  0.879424D+01
      5  -0.212830D+01 -0.850429D+01  0.124759D+02  0.469025D+01  0.828345D+01
      6   0.379029D+01  0.793154D+00  0.300052D+01 -0.491287D+01  0.126779D+01
                76            77            78            79            80 
      1   0.106461D+02 -0.895579D+01  0.411752D+01  0.416695D+01  0.136056D+01
      2  -0.750132D+01  0.159933D+01 -0.205879D+01 -0.362038D+01 -0.307233D+01
      3  -0.314479D+01  0.735646D+01 -0.205874D+01 -0.546571D+00  0.171177D+01
      4  -0.726776D+00  0.551184D+01  0.640024D+01  0.438255D+01  0.191474D+01
      5   0.556649D+01  0.182054D+01  0.143835D+01  0.498453D+01  0.208326D+01
      6  -0.262439D+01  0.225631D+01  0.319579D+01  0.130945D+01  0.364404D+01
                81            82            83            84            85 
      1   0.934298D+01 -0.788979D+01 -0.367489D+01  0.107542D+02 -0.686604D+01
      2   0.758738D+01  0.109815D+02  0.363979D+01 -0.350255D+01  0.105161D+02
      3  -0.169304D+02 -0.309168D+01  0.351027D-01 -0.725169D+01 -0.365008D+01
      4   0.498921D+01 -0.688449D+01  0.228167D+01  0.581384D+01  0.204791D+01
      5  -0.854264D+01  0.943122D+01 -0.130348D+01 -0.242479D+01 -0.145881D+01
      6  -0.437018D+00  0.568741D+01 -0.471131D+01  0.496083D+01 -0.359240D+01
                86            87            88            89            90 
      1  -0.192668D+02  0.924382D+01  0.708516D+01  0.455894D+01  0.309179D+01
      2   0.201845D+02 -0.174140D+02 -0.672853D-01 -0.817626D+01  0.556544D+01
      3  -0.917635D+00  0.817019D+01 -0.701788D+01  0.361732D+01 -0.865722D+01
      4   0.524237D+01 -0.358057D+01  0.645491D+01 -0.272084D+01  0.289478D+01
      5  -0.755289D+01  0.195212D+01 -0.132526D+01  0.554060D+00 -0.191077D+01
      6  -0.132546D+02  0.494983D+01  0.381878D+01  0.208105D+01  0.718427D+01
                91            92            93            94            95 
      1  -0.205213D+01  0.181226D+01 -0.700702D+01  0.769597D+01  0.185789D+02
      2  -0.157671D+00 -0.339557D+01  0.442610D+01 -0.137226D+02 -0.251672D+02
      3   0.220980D+01  0.158331D+01  0.258092D+01  0.602665D+01  0.658834D+01
      4  -0.710395D+01 -0.348542D+01 -0.127088D+02 -0.470869D+01 -0.124801D+02
      5  -0.585190D+01 -0.164767D+01 -0.346892D+01 -0.116682D+01  0.752637D+01
      6  -0.129024D+02  0.377027D+01 -0.874490D+01  0.447261D+01  0.311176D+02
                96            97            98            99           100 
      1  -0.164992D+02 -0.992084D+01 -0.212626D+02  0.315158D+01  0.724683D+02
      2   0.313410D+02  0.819683D+01  0.346101D+02 -0.773951D+01 -0.391408D+02
      3  -0.148418D+02  0.172401D+01 -0.133475D+02  0.458793D+01 -0.333275D+02
      4   0.593178D+01 -0.139067D+02  0.931255D+01 -0.123062D+02 -0.334594D+02
      5  -0.530211D+00 -0.489958D+01 -0.375729D+01 -0.179961D+00  0.331682D+02
      6  -0.101437D+02 -0.121228D+02 -0.137483D+02  0.205771D+01 -0.101164D+02
               101           102           103           104           105 
      1  -0.104740D+02  0.202497D+02  0.220734D+01  0.560310D+01  0.230722D+01
      2   0.315333D+01 -0.133090D+02 -0.486020D+01 -0.182011D+01 -0.346476D+01
      3   0.732063D+01 -0.694068D+01  0.265286D+01 -0.378299D+01  0.115754D+01
      4   0.137751D+02 -0.964858D+01  0.105029D+02 -0.555455D+01  0.421127D+01
      5  -0.541426D+01  0.185551D+02  0.755666D+00  0.522423D+01 -0.668053D+00
      6   0.335331D+01 -0.656273D+01  0.293396D+01 -0.318569D+01  0.371564D+01
               106           107           108           109           110 
      1   0.154655D+02 -0.997253D+00  0.114963D+02 -0.251254D+01 -0.940965D+01
      2  -0.124658D+02 -0.439200D+00 -0.930345D+01  0.265921D+01  0.863142D+01
      3  -0.299973D+01  0.143645D+01 -0.219290D+01 -0.146668D+00  0.778225D+00
      4  -0.889629D+01  0.463366D+01 -0.746898D+01 -0.602422D+00 -0.947661D+00
      5   0.217015D+02 -0.449788D+01  0.137314D+02  0.330318D+01 -0.738422D+00
      6  -0.756771D+01  0.459301D+01 -0.488877D+01 -0.521866D+01 -0.580679D+01
               111           112           113           114           115 
      1   0.891254D+01 -0.548189D+01 -0.192458D+02  0.999176D+01  0.583444D+01
      2  -0.487345D+01  0.349418D+01  0.243327D+02 -0.936940D+01 -0.264403D+01
      3  -0.403909D+01  0.198771D+01 -0.508691D+01 -0.622362D+00 -0.319041D+01
      4  -0.212132D+01  0.468262D+01 -0.147156D+02  0.707804D+01 -0.466438D+01
      5  -0.767089D+00 -0.211193D+01  0.726809D+01 -0.887377D+01  0.326545D+01
      6   0.516999D+01 -0.435321D+00 -0.183463D+02  0.144271D+02  0.301892D+00
               116           117           118           119           120 
      1   0.777135D+01 -0.982289D+01  0.151311D+02 -0.101213D+02 -0.549778D+01
      2  -0.592901D+01  0.484219D+01 -0.443819D+00 -0.294935D+01  0.126388D+01
      3  -0.184234D+01  0.498070D+01 -0.146873D+02  0.130706D+02  0.423390D+01
      4   0.716369D+01 -0.550421D+01 -0.254472D+02  0.240458D+02  0.817256D+01
      5  -0.670491D+01  0.808842D+01 -0.113361D+02  0.761449D+01  0.893904D+01
      6   0.131960D+02 -0.133797D+02  0.752196D+01 -0.596335D+01 -0.473244D+01
               121           122           123           124           125 
      1  -0.913254D+01  0.668889D+00 -0.113808D+01 -0.394855D+01 -0.141859D+01
      2  -0.906576D+01  0.242430D+02  0.682052D+01  0.111965D+01  0.363362D+01
      3   0.181983D+02 -0.249119D+02 -0.568244D+01  0.282889D+01 -0.221503D+01
      4   0.346842D+02 -0.473247D+02 -0.160848D+02  0.941150D+01 -0.126073D+02
      5   0.106076D+02 -0.159932D+02 -0.102990D+02  0.121997D+02 -0.112921D+02
      6  -0.109357D+02  0.185053D+02  0.115014D+02 -0.842537D+01  0.125281D+02
               126           127           128           129           130 
      1   0.111055D+01  0.226893D+02  0.753141D+01 -0.102391D+02  0.157108D+02
      2   0.151341D+01 -0.163104D+02 -0.691549D+01  0.852221D+01 -0.134757D+02
      3  -0.262395D+01 -0.637889D+01 -0.615925D+00  0.171687D+01 -0.223515D+01
      4  -0.121159D+02  0.180970D+01  0.686450D+01 -0.723605D-01  0.705449D+01
      5  -0.918816D+01 -0.155217D+02 -0.396686D+01  0.128288D+02 -0.919216D+01
      6   0.878016D+01  0.109926D+01 -0.180682D+01 -0.206719D+01 -0.286214D+01
               131           132           133           134           135 
      1   0.902631D+01 -0.550022D+01 -0.986965D+01 -0.160544D+01  0.671253D+01
      2  -0.828505D+01  0.866385D+01  0.952342D+01  0.497425D+01 -0.109096D+02
      3  -0.741262D+00 -0.316364D+01  0.346222D+00 -0.336882D+01  0.419704D+01
      4   0.832806D+01 -0.734837D+01  0.171284D+01 -0.602069D+01  0.262152D+01
      5  -0.102809D+02  0.116560D+02  0.137616D+02  0.560757D+01 -0.151746D+02
      6  -0.160674D+01  0.399507D+00 -0.145363D+01  0.242367D+01  0.131677D+01
               136           137           138           139           140 
      1   0.183686D+02  0.116088D+02 -0.621118D+01  0.115625D+02  0.380363D+01
      2  -0.229936D+01  0.184141D+01  0.172934D+01  0.701519D+01  0.197156D+02
      3  -0.160692D+02 -0.134502D+02  0.448184D+01 -0.185777D+02 -0.235192D+02
      4   0.272450D+02  0.245446D+02 -0.856241D+01  0.354582D+02  0.455748D+02
      5  -0.125023D+02 -0.806285D+01  0.960762D+01 -0.112747D+02 -0.159640D+02
      6  -0.774811D+01 -0.606773D+01  0.481962D+01 -0.109120D+02 -0.170790D+02
               141           142           143           144           145 
      1  -0.971611D-02 -0.475424D+01  0.513914D+00  0.216731D+01  0.215362D+02
      2  -0.548522D+01  0.182143D+01 -0.260778D+01  0.454530D+00 -0.152634D+02
      3   0.549493D+01  0.293282D+01  0.209387D+01 -0.262184D+01 -0.627287D+01
      4  -0.160270D+02 -0.972713D+01 -0.123905D+02  0.121051D+02 -0.282624D+01
      5   0.103974D+02  0.130774D+02  0.112885D+02 -0.958265D+01 -0.149830D+02
      6   0.108520D+02  0.841628D+01  0.116823D+02 -0.839039D+01 -0.642103D+00
               146           147           148           149           150 
      1  -0.750014D+01 -0.997714D+01 -0.156669D+02  0.927778D+01  0.528228D+01
      2   0.663761D+01  0.811457D+01  0.131660D+02 -0.839153D+01 -0.835573D+01
      3   0.862528D+00  0.186257D+01  0.250085D+01 -0.886255D+00  0.307346D+01
      4   0.721295D+01  0.542626D+00  0.804038D+01 -0.975285D+01 -0.796987D+01
      5   0.409459D+01  0.123837D+02  0.927688D+01 -0.107759D+02 -0.121651D+02
      6  -0.186766D+01  0.154707D+01 -0.314944D+01  0.228059D+01  0.842699D+00
               151           152           153           154           155 
      1  -0.992566D+01  0.150077D+01  0.645479D+01  0.754327D+02  0.866908D+01
      2   0.942424D+01 -0.484648D+01 -0.106229D+02 -0.417376D+02 -0.262628D+01
      3   0.501425D+00  0.334571D+01  0.416814D+01 -0.336951D+02 -0.604280D+01
      4  -0.114010D+01 -0.623929D+01 -0.337477D+01  0.295482D+02  0.121019D+02
      5   0.135485D+02 -0.608326D+01 -0.151739D+02  0.337564D+02  0.434855D+01
      6   0.965551D+00  0.262971D+01 -0.646006D+00  0.894753D+01  0.286652D+01
               156           157           158           159           160 
      1   0.209300D+02 -0.425143D+01  0.574392D+01 -0.283081D+01  0.162586D+02
      2  -0.139377D+02  0.562940D+01 -0.232991D+01  0.369417D+01 -0.131849D+02
      3  -0.699234D+01 -0.137796D+01 -0.341401D+01 -0.863363D+00 -0.307368D+01
      4   0.837069D+01  0.973312D+01  0.424811D+01  0.409744D+01  0.788284D+01
      5   0.188596D+02 -0.183602D+01  0.520350D+01  0.245111D-01  0.222205D+02
      6   0.592311D+01  0.271242D+01  0.271586D+01  0.343597D+01  0.682603D+01
               161           162           163           164           165 
      1   0.707954D+00  0.121167D+02 -0.183910D+01  0.861878D+01  0.866056D+01
      2   0.604932D+00 -0.992339D+01  0.211902D+01 -0.763484D+01 -0.465330D+01
      3  -0.131289D+01 -0.219328D+01 -0.279919D+00 -0.983942D+00 -0.400725D+01
      4   0.427176D+01  0.656207D+01  0.959652D+00 -0.105066D+01  0.185612D+01
      5   0.375260D+01  0.139582D+02  0.363974D+01  0.676951D+00 -0.576216D+00
      6   0.411080D+01  0.430698D+01  0.482569D+01 -0.526907D+01 -0.451925D+01
               166           167           168           169           170 
      1   0.521036D+01 -0.185362D+02 -0.972048D+01  0.592148D+01 -0.738028D+01
      2  -0.300748D+01  0.235130D+02  0.893612D+01 -0.280697D+01  0.541123D+01
      3  -0.220288D+01 -0.497675D+01  0.784356D+00 -0.311451D+01  0.196905D+01
      4   0.497138D+01  0.164124D+02  0.780524D+01  0.461862D+01  0.752933D+01
      5   0.228990D+01  0.792345D+01  0.951458D+01  0.356277D+01  0.711109D+01
      6   0.327696D-01  0.182672D+02  0.142290D+02  0.110380D+00  0.128934D+02
               171           172           173           174           175 
      1  -0.930286D+01  0.129075D+02 -0.624711D+01  0.542146D+00 -0.120343D+02
      2   0.434380D+01 -0.482343D+01  0.230088D+01 -0.858701D+00  0.659505D+01
      3   0.495906D+01 -0.808404D+01  0.394624D+01  0.316556D+00  0.543923D+01
      4   0.610743D+01 -0.112422D+02  0.115911D+02 -0.250000D+01  0.949822D+01
      5   0.863926D+01  0.363933D+01 -0.298218D+01  0.330730D+01 -0.868025D+01
      6   0.129952D+02 -0.316878D+01  0.376005D+01 -0.141385D+01  0.448797D+01
               176           177           178           179           180 
      1   0.462514D+01 -0.259843D+01 -0.616477D+01  0.114635D+01 -0.101637D+01
      2   0.699437D+00  0.394472D+01  0.304993D+01  0.788958D+00 -0.807488D+00
      3  -0.532458D+01 -0.134628D+01  0.311483D+01 -0.193531D+01  0.182386D+01
      4  -0.180608D+02  0.201127D+01 -0.206958D+01 -0.219616D+01 -0.391780D+01
      5   0.315702D+01 -0.580888D+01  0.301248D+00 -0.310691D+01  0.776495D+00
      6  -0.683045D+01  0.214600D+01 -0.126966D+01  0.912950D+00 -0.175298D+01
               181           182           183           184           185 
      1  -0.350510D+01 -0.154294D+00  0.347463D+01  0.250732D+00 -0.118356D+01
      2   0.101762D+01 -0.577009D+00  0.171983D+01 -0.133076D+00 -0.202975D+01
      3   0.248748D+01  0.731303D+00 -0.519446D+01 -0.117656D+00  0.321331D+01
      4  -0.283400D+01  0.543587D+00 -0.510570D+00  0.323127D+01 -0.179868D+00
      5  -0.108320D+01 -0.411925D+00  0.896667D+00 -0.500432D+00  0.300406D+01
      6   0.213071D+00  0.634853D+00 -0.647536D-01  0.167694D+01 -0.393237D+00
               186           187           188           189           190 
      1  -0.314516D-01  0.248998D+01  0.203748D+01 -0.176161D+02 -0.431170D+01
      2   0.777789D+00 -0.653446D+01  0.174307D+01 -0.198048D+02  0.589546D+01
      3  -0.746338D+00  0.404448D+01 -0.378055D+01  0.374210D+02 -0.158376D+01
      4   0.336737D+01  0.143399D+01  0.447148D+01 -0.366123D+01 -0.480692D+01
      5  -0.664576D+00  0.884053D+01 -0.247245D+01  0.240882D+02  0.309215D+01
      6   0.557785D+01  0.258235D+00  0.350912D+01  0.862699D+00  0.277081D+00
               191           192           193           194           195 
      1   0.683026D+01 -0.182045D+01  0.694623D+01 -0.208923D+02  0.471493D+01
      2  -0.871632D+01  0.119148D+01 -0.667391D+01  0.321992D+02 -0.399355D+01
      3   0.188606D+01  0.628972D+00 -0.272318D+00 -0.113069D+02 -0.721379D+00
      4   0.620715D+00  0.181386D+01  0.609864D+01  0.207198D+01 -0.684256D+00
      5  -0.451483D+00 -0.713309D+00 -0.291186D+01  0.187969D+01  0.106729D+01
      6   0.662535D+01 -0.315062D+01  0.135196D+01 -0.122220D+02  0.659531D+01
               196           197           198           199           200 
      1   0.159547D+01  0.796447D+00 -0.455012D+01 -0.548138D+00  0.143993D+01
      2  -0.135890D+01  0.291681D+01  0.254669D+01 -0.253390D+01 -0.102968D+01
      3  -0.236575D+00 -0.371326D+01  0.200343D+01  0.308204D+01 -0.410255D+00
      4   0.322463D+01  0.367507D+01 -0.165845D+01  0.399126D+00 -0.584405D+00
      5  -0.952219D+00 -0.122222D+00  0.658416D+00 -0.183997D+01  0.215565D-02
      6  -0.210990D+01  0.283209D+01 -0.194383D+01 -0.598222D+00  0.210348D+01
               201           202           203           204           205 
      1  -0.336045D+01 -0.126532D+01 -0.391248D+01  0.270107D+00 -0.313196D+01
      2   0.909117D+00  0.114504D+01  0.143442D+01 -0.451137D+01  0.290727D+01
      3   0.245133D+01  0.120279D+00  0.247806D+01  0.424127D+01  0.224690D+00
      4  -0.103151D+01 -0.187491D+01 -0.323673D+01  0.190871D-01 -0.410052D+01
      5   0.404888D+01  0.863272D+00  0.384072D+00 -0.217423D+01  0.418288D+01
      6  -0.176489D+01  0.179602D+01 -0.772773D+00  0.243240D+01  0.101986D+01
               206           207           208           209           210 
      1   0.496620D+01 -0.214218D+02 -0.446224D+01 -0.744344D+01 -0.215488D+01
      2  -0.837015D-01 -0.149241D+02  0.614256D+01  0.976421D+01  0.150208D+01
      3  -0.488250D+01  0.363459D+02 -0.168032D+01 -0.232076D+01  0.652802D+00
      4  -0.305209D+01 -0.421148D+00  0.560789D+01  0.107342D+01 -0.169230D+01
      5   0.340555D+01 -0.149480D+02  0.325009D+01  0.705301D+00 -0.608877D+00
      6   0.789278D+01 -0.192214D+02 -0.592475D-01  0.710101D+01  0.345434D+01
               211           212           213           214           215 
      1  -0.709898D+01 -0.203496D+02 -0.463663D+01  0.129911D+01 -0.502207D+00
      2   0.725898D+01  0.315937D+02  0.393797D+01 -0.122269D+01 -0.323093D+01
      3  -0.160003D+00 -0.112440D+02  0.698666D+00 -0.764205D-01  0.373314D+01
      4   0.644185D+01 -0.714471D-01 -0.226117D+00 -0.319468D+01  0.371089D+01
      5   0.292931D+01  0.225837D+01 -0.751110D+00 -0.857596D+00  0.276948D+00
      6   0.174715D+01  0.116911D+02  0.645883D+01  0.226573D+01  0.271042D+01
               216           217           218           219           220 
      1  -0.438160D+01 -0.616784D+00 -0.162522D+01 -0.328175D+01  0.959761D+00
      2   0.239015D+01 -0.247884D+01  0.124200D+01  0.100377D+01 -0.807386D+00
      3   0.199145D+01  0.309562D+01  0.383215D+00  0.227798D+01 -0.152375D+00
      4   0.196034D+01 -0.584038D+00 -0.294711D+00  0.123036D+01 -0.178846D+01
      5   0.744672D+00 -0.183222D+01  0.194309D+00  0.421031D+01 -0.674549D+00
      6   0.188769D+01  0.860137D+00  0.210228D+01  0.169636D+01  0.182381D+01
               221           222           223           224           225 
      1  -0.360607D+01 -0.141817D+00 -0.299823D+01 -0.513108D+01 -0.213863D+02
      2   0.113962D+01  0.444287D+01  0.254135D+01  0.224453D+00 -0.149281D+02
      3   0.246644D+01 -0.430105D+01  0.456881D+00  0.490662D+01  0.363143D+02
      4   0.354633D+01  0.178126D+00  0.422667D+01 -0.300980D+01  0.688793D+00
      5   0.440073D+00  0.206989D+01  0.398237D+01 -0.324806D+01 -0.140601D+02
      6   0.603307D+00  0.228835D+01 -0.843683D+00  0.811269D+01  0.199046D+02
               226           227           228           229           230 
      1   0.146331D+02  0.683738D+01  0.864634D+00  0.124131D+02  0.529396D+01
      2  -0.617448D+01 -0.303523D+01 -0.123491D+01 -0.712468D+01 -0.377872D+00
      3  -0.845860D+01 -0.380214D+01  0.370273D+00 -0.528843D+01 -0.491609D+01
      4   0.112853D+02  0.114425D+02  0.249527D+01  0.891628D+01  0.169611D+02
      5   0.426526D+01  0.309391D+01  0.360218D+01  0.881369D+01  0.292486D+01
      6   0.333419D+01  0.376301D+01  0.135119D+01  0.424584D+01  0.634887D+01
               231           232           233           234           235 
      1   0.271484D+01 -0.601399D+01 -0.107470D+01 -0.681663D+00 -0.323601D+01
      2  -0.405315D+01  0.282506D+01 -0.724691D+00 -0.114092D+01  0.779629D+00
      3   0.133830D+01  0.318893D+01  0.179939D+01  0.182258D+01  0.245638D+01
      4   0.161262D+01  0.237164D+01 -0.227728D+01  0.391125D+01  0.317115D+01
      5   0.574095D+01  0.486231D+00  0.312250D+01  0.847765D+00 -0.104793D+01
      6   0.183721D+01  0.128518D+01  0.725889D+00  0.172259D+01 -0.693926D-01
               236           237           238           239           240 
      1   0.284453D+00  0.352517D+01  0.111574D+00 -0.118277D+01  0.166927D+00
      2   0.414351D+00  0.163656D+01 -0.263081D+00 -0.205476D+01 -0.113705D+01
      3  -0.698803D+00 -0.516174D+01  0.151508D+00  0.323754D+01  0.970124D+00
      4   0.429429D+00  0.575313D+00  0.310188D+01 -0.175520D-01  0.329674D+01
      5   0.611279D+00  0.930319D+00  0.743942D+00  0.296362D+01  0.862159D+00
      6   0.633118D+00  0.263840D+00  0.166595D+01  0.165446D+00  0.553528D+01
               241           242           243           244           245 
      1   0.227093D+01 -0.174847D+01 -0.172996D+02 -0.182786D+01 -0.115785D+01
      2  -0.647247D+01 -0.185206D+01 -0.201060D+02 -0.576730D-01  0.253414D+01
      3   0.420153D+01  0.360053D+01  0.374056D+02  0.188553D+01 -0.137630D+01
      4  -0.162461D+01  0.454026D+01  0.354328D+01  0.686566D+01 -0.308738D+01
      5   0.891575D+01  0.223441D+01  0.239951D+02 -0.511888D+01  0.231616D+01
      6  -0.491918D+00  0.342169D+01 -0.189587D+01  0.134238D+02  0.168868D+01
               246           247           248           249           250 
      1  -0.509849D+01 -0.711951D+01  0.200302D+02  0.171738D+02 -0.767201D+01
      2   0.186408D+01  0.129363D+02 -0.269801D+02 -0.318927D+02  0.536101D+01
      3   0.323441D+01 -0.581676D+01  0.694983D+01  0.147189D+02  0.231100D+01
      4   0.133225D+02 -0.359345D+01  0.108117D+02  0.321552D+01  0.149431D+02
      5  -0.306834D+01  0.186344D+01  0.597597D+01  0.215046D+00 -0.421288D+01
      6   0.842385D+01  0.243490D+01 -0.316964D+02 -0.105314D+02  0.116916D+02
               251           252           253           254           255 
      1   0.223508D+02  0.421858D+01 -0.676985D+01  0.328351D+01  0.977569D+01
      2  -0.356266D+02 -0.879685D+01  0.971032D+01 -0.333610D+01 -0.217232D+01
      3   0.132758D+02  0.457827D+01 -0.294047D+01  0.525947D-01 -0.760337D+01
      4   0.614776D+01  0.117684D+02  0.781561D+01  0.143668D+01 -0.653763D+01
      5   0.332851D+01 -0.264591D+00  0.925156D+01  0.360700D+00 -0.273953D+01
      6  -0.144147D+02 -0.204703D+01 -0.645268D+01 -0.385927D+01 -0.460903D+01
               256           257           258           259           260 
      1   0.644655D+01 -0.201084D+02 -0.994498D+01  0.628973D+01 -0.507803D+01
      2  -0.101769D+02  0.211851D+02  0.177920D+02  0.886737D+00  0.838248D+01
      3   0.373040D+01 -0.107670D+01 -0.784699D+01 -0.717647D+01 -0.330446D+01
      4   0.768182D+00 -0.360913D+01 -0.210691D+01 -0.685563D+01 -0.184511D+01
      5   0.570465D+00 -0.702961D+01 -0.161076D+01 -0.152950D+01 -0.394464D+00
      6  -0.276392D+01  0.139026D+02  0.522775D+01 -0.366042D+01  0.226180D+01
               261           262           263           264           265 
      1   0.283034D+01  0.178959D+02 -0.283028D+01 -0.590080D+01 -0.508981D+00
      2   0.581318D+01 -0.158716D+02  0.596787D+01  0.820949D+01  0.239783D+01
      3  -0.864353D+01 -0.202429D+01 -0.313759D+01 -0.230869D+01 -0.188885D+01
      4  -0.277440D+01  0.157585D+02  0.645002D+01 -0.778327D+01  0.115116D+01
      5  -0.222850D+01 -0.182394D+02 -0.311636D+01  0.113915D+02  0.232004D+01
      6  -0.709172D+01 -0.749049D+01 -0.366519D+01  0.667689D+01 -0.221812D+00
               266           267           268           269           270 
      1   0.417014D+01 -0.603954D+00 -0.332852D+01 -0.630600D+00  0.150382D+01
      2  -0.285996D+01 -0.421289D+00  0.680633D+01  0.174496D+01 -0.744827D+01
      3  -0.131018D+01  0.102524D+01 -0.347780D+01 -0.111437D+01  0.594445D+01
      4   0.438971D+00  0.293838D+00 -0.299761D+01 -0.342535D+00  0.342283D+01
      5  -0.279440D+00 -0.128373D+01  0.827063D+01  0.252500D+00 -0.756743D+01
      6   0.144382D+01 -0.117029D+00  0.353314D+01  0.135692D+01 -0.511456D+01
               271           272           273           274           275 
      1  -0.127726D+00  0.657483D+01 -0.774348D+01  0.189152D+01 -0.186066D+01
      2  -0.459799D+01 -0.653457D+01 -0.191970D+01 -0.197513D+01 -0.734117D+00
      3   0.472572D+01 -0.402567D-01  0.966319D+01  0.836092D-01  0.259478D+01
      4  -0.378637D+01 -0.810834D+00 -0.351435D+01 -0.844642D-01 -0.213195D+01
      5   0.188593D+01  0.262074D+00  0.360339D+01 -0.163815D-01  0.218511D+01
      6  -0.248690D+01  0.577833D+01 -0.887727D+01  0.242388D+01 -0.251797D+01
               276           277           278           279           280 
      1   0.164343D+01 -0.231597D+01  0.669916D+01 -0.159292D+02  0.122255D+02
      2  -0.651792D+00 -0.124068D+01 -0.229627D+01 -0.128597D+02 -0.252850D+01
      3  -0.991635D+00  0.355665D+01 -0.440290D+01  0.287889D+02 -0.969699D+01
      4   0.131919D+01 -0.335312D+01 -0.971100D+00 -0.321347D+01  0.257062D+02
      5  -0.933874D+00  0.391584D+01  0.396696D+00 -0.138288D+01  0.769150D+01
      6   0.531137D+01 -0.153615D+01  0.807827D+01 -0.211385D+02  0.985935D+01
               281           282           283           284           285 
      1  -0.223307D+01  0.465555D+01 -0.341545D+01 -0.168723D+01 -0.766007D+00
      2   0.100983D+02 -0.127605D+01  0.755664D+01  0.594393D+01  0.933256D+00
      3  -0.786520D+01 -0.337950D+01 -0.414119D+01 -0.425670D+01 -0.167249D+00
      4   0.121964D+02  0.979756D+01  0.656139D+01  0.891364D+01  0.194600D+01
      5   0.184863D+01  0.633747D+01  0.721112D+00  0.178581D+01  0.753824D+00
      6   0.306088D+01  0.864548D+01  0.126233D+01  0.164609D+01  0.349921D+01
               286           287           288           289           290 
      1   0.504971D+01 -0.856999D+00  0.626309D+00 -0.349199D+01 -0.948466D+00
      2  -0.217868D+01  0.414084D+01  0.630021D+00  0.866115D+01  0.608304D+01
      3  -0.287102D+01 -0.328385D+01 -0.125633D+01 -0.516916D+01 -0.513458D+01
      4   0.156947D+02  0.619990D+01  0.106329D+02  0.825999D+01  0.159316D+02
      5   0.791600D+01  0.327762D+01  0.766267D+01 -0.154191D+01 -0.349287D+01
      6   0.110341D+02  0.812807D+01  0.133354D+02 -0.474941D+01 -0.451344D+01
               291           292           293           294           295 
      1   0.105252D+01 -0.513872D+01 -0.379739D+02  0.136315D+02  0.459339D+01
      2  -0.240138D+01  0.119904D+02  0.671756D+02 -0.216365D+02 -0.677635D+01
      3   0.134885D+01 -0.685170D+01 -0.292017D+02  0.800496D+01  0.218297D+01
      4  -0.505707D+01  0.123302D+02  0.204141D+02 -0.775443D+01 -0.582577D+01
      5   0.375817D+01 -0.185342D+01 -0.495847D+01  0.303452D+01  0.407195D+01
      6   0.361748D+01 -0.639348D+01 -0.306954D+02  0.184068D+02  0.773511D+01
               296           297           298           299           300 
      1   0.211493D+02 -0.135886D+02 -0.389308D+01  0.759860D+00  0.858676D+00
      2  -0.306617D+02  0.166029D+02  0.858026D+01 -0.480656D+01 -0.185041D+01
      3   0.951245D+01 -0.301435D+01 -0.468718D+01  0.404670D+01  0.991733D+00
      4  -0.114186D+02  0.846299D+01 -0.650747D+01  0.151522D+02  0.460485D+01
      5   0.544211D+01 -0.455251D+01 -0.111808D+01  0.317642D+01  0.348986D+01
      6   0.276447D+02 -0.215380D+02  0.436919D+01 -0.348116D+01 -0.295191D+01
               301           302           303           304           305 
      1   0.461661D+01 -0.398929D+02 -0.142948D+02  0.410300D+01 -0.222580D+02
      2  -0.103812D+02  0.695952D+02  0.223533D+02 -0.586294D+01  0.318636D+02
      3   0.576457D+01 -0.297023D+02 -0.805855D+01  0.175994D+01 -0.960569D+01
      4   0.111170D+02 -0.168676D+02 -0.637204D+01  0.488994D+01 -0.930399D+01
      5   0.145789D+01 -0.380104D+01 -0.237026D+01  0.353373D+01 -0.436985D+01
      6  -0.529138D+01  0.313143D+02  0.186628D+02 -0.666240D+01  0.281722D+02
               306           307           308           309           310 
      1  -0.142713D+02  0.102232D+02  0.271792D+01  0.380680D+01  0.341337D+01
      2   0.172917D+02 -0.106605D+01 -0.108005D+02 -0.438140D+00 -0.777060D+01
      3  -0.302040D+01 -0.915715D+01  0.808258D+01 -0.336866D+01  0.435723D+01
      4  -0.709177D+01 -0.254636D+02  0.123586D+02 -0.993514D+01  0.679843D+01
      5  -0.358965D+01  0.713336D+01 -0.195752D+01  0.591663D+01 -0.908697D+00
      6   0.217027D+02 -0.998049D+01  0.351855D+01 -0.875402D+01  0.165280D+01
               311           312           313           314           315 
      1  -0.276662D+01  0.765829D+00  0.370321D+01  0.122598D+01 -0.314399D+00
      2   0.756721D+01 -0.108029D+01 -0.983251D+00 -0.462499D+01  0.156307D+01
      3  -0.480060D+01  0.314461D+00 -0.271996D+01  0.339901D+01 -0.124867D+01
      4  -0.935856D+01  0.229833D+01 -0.156758D+02  0.665454D+01 -0.105918D+02
      5   0.182696D+01 -0.863109D+00  0.728485D+01 -0.324013D+01  0.706247D+01
      6  -0.193384D+01  0.391709D+01 -0.109976D+02  0.875595D+01 -0.136600D+02
               316           317           318           319           320 
      1   0.165753D+02  0.282980D+01 -0.515386D+01  0.572890D-01  0.396725D+01
      2  -0.147821D+02 -0.598881D+01  0.750965D+01 -0.196506D+01 -0.242809D+01
      3  -0.179314D+01  0.315901D+01 -0.235578D+01  0.190777D+01 -0.153916D+01
      4  -0.168592D+02  0.676680D+01  0.839341D+01  0.174384D+01 -0.108429D+01
      5  -0.178389D+02  0.373245D+01  0.111433D+02 -0.155198D+01 -0.413718D+00
      6   0.811131D+01 -0.423041D+01 -0.718470D+01 -0.548991D+00 -0.123675D+01
               321           322           323           324           325 
      1   0.855161D+00 -0.301475D+01  0.724851D+00  0.118146D+01 -0.188738D+00
      2   0.635841D-01  0.644359D+01 -0.199467D+01 -0.713143D+01 -0.453411D+01
      3  -0.918745D+00 -0.342884D+01  0.126982D+01  0.594997D+01  0.472284D+01
      4  -0.915124D-01  0.342037D+01 -0.602717D+00 -0.381622D+01  0.357508D+01
      5   0.783182D+00  0.810097D+01 -0.557642D+00 -0.734504D+01  0.200079D+01
      6   0.149278D+00 -0.384113D+01  0.154654D+01  0.545805D+01  0.276989D+01
               326           327           328           329           330 
      1  -0.669027D+01 -0.748268D+01 -0.195839D+01 -0.128357D+01 -0.119120D+01
      2   0.674312D+01 -0.221656D+01  0.213629D+01 -0.131391D+01  0.626853D+00
      3  -0.528503D-01  0.969924D+01 -0.177906D+00  0.259749D+01  0.564344D+00
      4  -0.286491D+00  0.382424D+01  0.233592D-01  0.218196D+01  0.124978D+01
      5   0.108236D-01  0.404188D+01  0.138332D+00  0.229304D+01  0.990472D+00
      6   0.576944D+01  0.894018D+01  0.240769D+01  0.205607D+01  0.487175D+01
               331           332           333 
      1  -0.232408D+01 -0.665885D+01 -0.156286D+02
      2  -0.143579D+01  0.241997D+01 -0.131375D+02
      3   0.375987D+01  0.423888D+01  0.287661D+02
      4   0.336634D+01 -0.716287D+00  0.334448D+01
      5   0.397268D+01 -0.206269D+00 -0.430202D+00
      6   0.172942D+01  0.801451D+01  0.211701D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 00:52:42 2021, MaxMem=  5637144576 cpu:          118652.4 elap:           14867.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.79359 -14.79357 -14.79335 -14.79334 -14.79333
 Alpha  occ. eigenvalues --  -14.79325 -10.61883 -10.61858 -10.61809 -10.61804
 Alpha  occ. eigenvalues --  -10.61769 -10.61764  -3.71500  -2.46847  -2.46844
 Alpha  occ. eigenvalues --   -2.46426  -1.37134  -1.36034  -1.35998  -1.33566
 Alpha  occ. eigenvalues --   -1.33537  -1.33490  -1.15600  -1.15413  -1.15401
 Alpha  occ. eigenvalues --   -1.03900  -1.03732  -1.03126  -0.96664  -0.96441
 Alpha  occ. eigenvalues --   -0.96262  -0.95243  -0.94545  -0.94206  -0.93580
 Alpha  occ. eigenvalues --   -0.93463  -0.93113  -0.87359  -0.87264  -0.86501
 Alpha  occ. eigenvalues --   -0.86230  -0.85940  -0.85833  -0.83805  -0.82863
 Alpha  occ. eigenvalues --   -0.82860  -0.79249  -0.79219  -0.78295  -0.77826
 Alpha  occ. eigenvalues --   -0.77344  -0.76802  -0.75094  -0.74228  -0.74216
 Alpha  occ. eigenvalues --   -0.71286  -0.71283  -0.71037
 Alpha virt. eigenvalues --   -0.47961  -0.47955  -0.41046  -0.38918  -0.38160
 Alpha virt. eigenvalues --   -0.37985  -0.34766  -0.34737  -0.34319  -0.33022
 Alpha virt. eigenvalues --   -0.32473  -0.31840  -0.31495  -0.30564  -0.29383
 Alpha virt. eigenvalues --   -0.29097  -0.28683  -0.28344  -0.27607  -0.27430
 Alpha virt. eigenvalues --   -0.27273  -0.26185  -0.25882  -0.25463  -0.24873
 Alpha virt. eigenvalues --   -0.24841  -0.24164  -0.23421  -0.23314  -0.22887
 Alpha virt. eigenvalues --   -0.22473  -0.22041  -0.21642  -0.21303  -0.21041
 Alpha virt. eigenvalues --   -0.20591  -0.20424  -0.19820  -0.19616  -0.19337
 Alpha virt. eigenvalues --   -0.19161  -0.18857  -0.18438  -0.18170  -0.17479
 Alpha virt. eigenvalues --   -0.17076  -0.16539  -0.16305  -0.15942  -0.15475
 Alpha virt. eigenvalues --   -0.15200  -0.14440  -0.13552  -0.13254  -0.13072
 Alpha virt. eigenvalues --   -0.12895  -0.12438  -0.12002  -0.11350  -0.11284
 Alpha virt. eigenvalues --   -0.10619  -0.10566  -0.10160  -0.09454  -0.09059
 Alpha virt. eigenvalues --   -0.09040  -0.08381  -0.07746  -0.07338  -0.07199
 Alpha virt. eigenvalues --   -0.06277  -0.06199  -0.05908  -0.05796  -0.05442
 Alpha virt. eigenvalues --   -0.05261  -0.05174  -0.04974  -0.04931  -0.04545
 Alpha virt. eigenvalues --   -0.03982  -0.03787  -0.03417  -0.03262  -0.02476
 Alpha virt. eigenvalues --   -0.02169  -0.01994  -0.01837  -0.01316  -0.01269
 Alpha virt. eigenvalues --   -0.00655  -0.00604  -0.00492   0.00139   0.00252
 Alpha virt. eigenvalues --    0.01048   0.01398   0.01817   0.02238   0.02363
 Alpha virt. eigenvalues --    0.02465   0.02936   0.03280   0.03567   0.04157
 Alpha virt. eigenvalues --    0.04241   0.04483   0.04654   0.04998   0.05591
 Alpha virt. eigenvalues --    0.05692   0.05907   0.06276   0.06390   0.07082
 Alpha virt. eigenvalues --    0.07318   0.07472   0.07722   0.07792   0.08251
 Alpha virt. eigenvalues --    0.08287   0.08793   0.08795   0.09401   0.10208
 Alpha virt. eigenvalues --    0.10375   0.10396   0.10695   0.10741   0.11520
 Alpha virt. eigenvalues --    0.11872   0.11984   0.12883   0.13075   0.13773
 Alpha virt. eigenvalues --    0.14116   0.14516   0.14848   0.14994   0.15591
 Alpha virt. eigenvalues --    0.15939   0.16293   0.16350   0.17196   0.17337
 Alpha virt. eigenvalues --    0.17857   0.18074   0.18291   0.18300   0.18840
 Alpha virt. eigenvalues --    0.20101   0.20358   0.20975   0.21368   0.21376
 Alpha virt. eigenvalues --    0.21997   0.22182   0.23127   0.23142   0.23680
 Alpha virt. eigenvalues --    0.24222   0.24785   0.25785   0.26144   0.26179
 Alpha virt. eigenvalues --    0.26536   0.27017   0.27437   0.27823   0.28334
 Alpha virt. eigenvalues --    0.28445   0.28853   0.28984   0.29601   0.29786
 Alpha virt. eigenvalues --    0.30348   0.30565   0.31075   0.31228   0.31433
 Alpha virt. eigenvalues --    0.32160   0.32190   0.32442   0.32619   0.32889
 Alpha virt. eigenvalues --    0.32921   0.33147   0.33554   0.33660   0.34078
 Alpha virt. eigenvalues --    0.34679   0.34737   0.34915   0.35323   0.35951
 Alpha virt. eigenvalues --    0.36044   0.36130   0.36660   0.37702   0.37809
 Alpha virt. eigenvalues --    0.37819   0.38113   0.38313   0.38326   0.38577
 Alpha virt. eigenvalues --    0.40083   0.40220   0.41180   0.41767   0.42224
 Alpha virt. eigenvalues --    0.42484   0.42976   0.44212   0.44437   0.45357
 Alpha virt. eigenvalues --    0.45392   0.46091   0.46341   0.47050   0.47137
 Alpha virt. eigenvalues --    0.47915   0.48162   0.48715   0.48930   0.49260
 Alpha virt. eigenvalues --    0.49553   0.50242   0.50845   0.51585   0.51770
 Alpha virt. eigenvalues --    0.52331   0.52773   0.53621   0.54103   0.54601
 Alpha virt. eigenvalues --    0.55775   0.56782   0.56963   0.57759   0.58195
 Alpha virt. eigenvalues --    0.58277   0.59625   0.61012   0.61334   0.62039
 Alpha virt. eigenvalues --    0.62484   0.62837   0.64357   0.64856   0.66155
 Alpha virt. eigenvalues --    0.66401   0.67002   0.67261   0.67780   0.70071
 Alpha virt. eigenvalues --    0.71028   0.71389   0.71913   0.72639   0.73373
 Alpha virt. eigenvalues --    0.74938   0.76285   0.76859   0.77115   0.78182
 Alpha virt. eigenvalues --    0.78463   0.80166   0.80186   0.81151   0.82007
 Alpha virt. eigenvalues --    0.83971   0.84644   0.84866   0.86669   0.88479
 Alpha virt. eigenvalues --    0.88524   0.89532   0.89795   0.91003   0.91065
 Alpha virt. eigenvalues --    0.93372   0.93568   0.94433   0.95717   0.96155
 Alpha virt. eigenvalues --    0.96845   0.97793   0.98239   0.99371   1.00071
 Alpha virt. eigenvalues --    1.01734   1.01914   1.03033   1.03076   1.04953
 Alpha virt. eigenvalues --    1.07578   1.08660   1.09097   1.10402   1.12009
 Alpha virt. eigenvalues --    1.13129   1.13747   1.13938   1.15014   1.15080
 Alpha virt. eigenvalues --    1.15961   1.17426   1.18030   1.18036   1.18491
 Alpha virt. eigenvalues --    1.23280   1.24097   1.26394   1.28346   1.28743
 Alpha virt. eigenvalues --    1.31273   1.33123   1.34363   1.34910   1.36861
 Alpha virt. eigenvalues --    1.37738   1.38414   1.40341   1.41036   1.41526
 Alpha virt. eigenvalues --    1.41837   1.42153   1.43056   1.43126   1.45241
 Alpha virt. eigenvalues --    1.45904   1.46684   1.47000   1.48118   1.48215
 Alpha virt. eigenvalues --    1.49368   1.49595   1.50368   1.51011   1.51612
 Alpha virt. eigenvalues --    1.53114   1.53506   1.54851   1.54944   1.57795
 Alpha virt. eigenvalues --    1.58078   1.59558   1.60654   1.62669   1.63007
 Alpha virt. eigenvalues --    1.64564   1.65553   1.65906   1.66882   1.67291
 Alpha virt. eigenvalues --    1.68432   1.69274   1.69372   1.70998   1.72056
 Alpha virt. eigenvalues --    1.72284   1.72886   1.74043   1.74723   1.75584
 Alpha virt. eigenvalues --    1.75860   1.77871   1.80408   1.80890   1.81565
 Alpha virt. eigenvalues --    1.82873   1.83206   1.84655   1.85452   1.87083
 Alpha virt. eigenvalues --    1.87830   1.88864   1.89051   1.90459   1.91562
 Alpha virt. eigenvalues --    1.92188   1.92609   1.92977   1.94334   1.95304
 Alpha virt. eigenvalues --    1.95967   1.96713   1.97960   1.98839   1.99207
 Alpha virt. eigenvalues --    2.00038   2.00672   2.01031   2.03537   2.03613
 Alpha virt. eigenvalues --    2.05612   2.05792   2.06322   2.06336   2.07706
 Alpha virt. eigenvalues --    2.08964   2.09648   2.11334   2.12471   2.14672
 Alpha virt. eigenvalues --    2.15245   2.17006   2.17616   2.18889   2.20227
 Alpha virt. eigenvalues --    2.20557   2.21965   2.22271   2.22535   2.24028
 Alpha virt. eigenvalues --    2.24767   2.25042   2.26080   2.26906   2.27134
 Alpha virt. eigenvalues --    2.28701   2.28807   2.29652   2.30925   2.31422
 Alpha virt. eigenvalues --    2.34210   2.34846   2.35635   2.36755   2.37099
 Alpha virt. eigenvalues --    2.37474   2.39110   2.39478   2.41321   2.41809
 Alpha virt. eigenvalues --    2.41970   2.43806   2.44875   2.45404   2.46446
 Alpha virt. eigenvalues --    2.46760   2.48355   2.49797   2.50276   2.50854
 Alpha virt. eigenvalues --    2.51572   2.52355   2.54274   2.58881   2.59307
 Alpha virt. eigenvalues --    2.60384   2.60776   2.61217   2.61926   2.62499
 Alpha virt. eigenvalues --    2.63786   2.64337   2.64385   2.67608   2.68351
 Alpha virt. eigenvalues --    2.68399   2.70866   2.71747   2.73694   2.74325
 Alpha virt. eigenvalues --    2.75220   2.76833   2.77270   2.78856   2.79001
 Alpha virt. eigenvalues --    2.81825   2.82504   2.87570   2.87876   2.88032
 Alpha virt. eigenvalues --    2.88806   2.89766   2.89923   2.90964   2.91940
 Alpha virt. eigenvalues --    2.92203   2.93858   2.94205   2.94888   2.95169
 Alpha virt. eigenvalues --    2.96586   2.97256   2.98401   2.99379   2.99844
 Alpha virt. eigenvalues --    2.99975   3.00347   3.02073   3.02526   3.04628
 Alpha virt. eigenvalues --    3.04887   3.05593   3.06240   3.06948   3.07666
 Alpha virt. eigenvalues --    3.07932   3.09606   3.10430   3.11800   3.13012
 Alpha virt. eigenvalues --    3.13427   3.17305   3.17859   3.19442   3.20060
 Alpha virt. eigenvalues --    3.20480   3.21839   3.22089   3.23257   3.30504
 Alpha virt. eigenvalues --    3.32603   3.33135   3.33253   3.35241   3.35449
 Alpha virt. eigenvalues --    3.43795   3.45148   3.45164   3.47769   3.50704
 Alpha virt. eigenvalues --    3.50765   3.54707   3.55293   3.55413   3.56729
 Alpha virt. eigenvalues --    3.56755   3.57219   3.65864   3.66714   3.67738
 Alpha virt. eigenvalues --    3.69822   3.71119   3.73099   3.75242   3.75986
 Alpha virt. eigenvalues --    3.76739   3.80438   3.80594   3.80709   3.89419
 Alpha virt. eigenvalues --    3.91064   3.91331   3.91730   3.92344   3.92538
 Alpha virt. eigenvalues --    3.93659   3.98528   3.98857   3.99657   4.00727
 Alpha virt. eigenvalues --    4.00919   4.02631   4.04633   4.06289   4.12800
 Alpha virt. eigenvalues --    4.13112   4.14190   4.14440   4.17558   4.17569
 Alpha virt. eigenvalues --    4.28868   4.31447   4.32252   4.35369   4.35753
 Alpha virt. eigenvalues --    4.36013   4.42959   4.43051   4.44550   4.46511
 Alpha virt. eigenvalues --    4.47413   4.48696   4.49105   4.49919   4.51803
 Alpha virt. eigenvalues --    4.52267   4.54693   4.54747   4.57278   4.57475
 Alpha virt. eigenvalues --    4.58920   4.59680   4.62372   4.65590   4.66324
 Alpha virt. eigenvalues --    4.69006   4.69447   4.73661   4.74207   4.76964
 Alpha virt. eigenvalues --    4.77329   4.77894   4.78745   4.81736   4.86902
 Alpha virt. eigenvalues --    4.87626   4.87656   4.90315   4.90998   4.92033
 Alpha virt. eigenvalues --    4.92085   4.93008   4.93244   4.93705   4.94775
 Alpha virt. eigenvalues --    5.08868   5.10321   5.11730   5.12559   5.16793
 Alpha virt. eigenvalues --    5.17487   5.20274   5.24067   5.24184   5.27158
 Alpha virt. eigenvalues --    5.27513   5.28763   5.49051   5.49498   5.49754
 Alpha virt. eigenvalues --    5.52297   5.52412   5.53572  22.23664  22.24973
 Alpha virt. eigenvalues --   22.26674  22.28124  22.29855  22.30982  30.46365
 Alpha virt. eigenvalues --   31.89658  32.01247  32.02165  32.03529  32.12946
 Alpha virt. eigenvalues --   32.13476 100.11757
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.820598  -0.094315   0.006594  -0.070455   0.012110   0.002090
     2  C   -0.094315   5.882692   0.178688  -0.042295  -0.005866  -0.000869
     3  N    0.006594   0.178688   6.655066  -0.023726  -0.030529  -0.005803
     4  Rh  -0.070455  -0.042295  -0.023726  17.327513  -0.023885  -0.042725
     5  N    0.012110  -0.005866  -0.030529  -0.023885   6.655654   0.178481
     6  C    0.002090  -0.000869  -0.005803  -0.042725   0.178481   5.882449
     7  C    0.000913   0.002075   0.012075  -0.070168   0.006765  -0.093572
     8  N   -0.001816   0.001798  -0.025104  -0.010721  -0.066876   0.003004
     9  N    0.212461   0.002963  -0.066912  -0.009837  -0.025160   0.001819
    10  N    0.005099  -0.000354  -0.012170  -0.065935  -0.026386   0.014947
    11  C   -0.000097   0.000642   0.004186  -0.050397  -0.003093   0.001312
    12  H    0.000136  -0.000036   0.002794  -0.000233  -0.010238  -0.010793
    13  H   -0.000247  -0.000343  -0.004653   0.005099   0.013549  -0.018430
    14  H    0.000413  -0.000074   0.001534  -0.003944  -0.053910   0.284732
    15  H   -0.000136   0.000273   0.000293   0.007313  -0.014302   0.303120
    16  H   -0.002062   0.284882  -0.053944  -0.003886   0.001532  -0.000076
    17  H   -0.005762   0.302856  -0.014223   0.007306   0.000294   0.000272
    18  H    0.286301  -0.010887  -0.010260  -0.000211   0.002798  -0.000036
    19  H    0.326959  -0.018489   0.013496   0.005005  -0.004613  -0.000344
    20  H   -0.027783  -0.020091  -0.011690   0.019751   0.006357  -0.000681
    21  H   -0.028373   0.027928  -0.008368  -0.023637  -0.005447   0.000244
    22  H   -0.031537  -0.000820   0.350111   0.000024  -0.005734  -0.005819
    23  H    0.027393  -0.030308   0.368045  -0.008164  -0.001844  -0.003170
    24  H    0.001204  -0.005826  -0.005585   0.000037   0.350060  -0.000971
    25  H    0.005913  -0.003182  -0.001882  -0.008283   0.368226  -0.030300
    26  H    0.000625  -0.000690   0.006373   0.019853  -0.011698  -0.019929
    27  H   -0.000181   0.000245  -0.005441  -0.023740  -0.008402   0.027836
    28  C    0.002449   0.001298  -0.003047  -0.050515   0.004209   0.000631
    29  N   -0.010952   0.015044  -0.026222  -0.066205  -0.012209  -0.000367
    30  H   -0.000012   0.000390  -0.001764  -0.016716  -0.009455   0.016805
    31  H   -0.000127  -0.000250  -0.001248   0.018858   0.000390   0.001823
    32  H   -0.000056   0.000123  -0.000085   0.010468   0.001912  -0.004574
    33  H   -0.000045   0.000088  -0.000055   0.000047   0.000494   0.001175
    34  H   -0.000347   0.001172   0.000493   0.000155  -0.000055   0.000089
    35  H    0.002721  -0.004562   0.001892   0.010568  -0.000078   0.000120
    36  H   -0.010313   0.016715  -0.009461  -0.016598  -0.001768   0.000389
    37  H   -0.002264   0.001874   0.000391   0.018755  -0.001249  -0.000251
               7          8          9         10         11         12
     1  C    0.000913  -0.001816   0.212461   0.005099  -0.000097   0.000136
     2  C    0.002075   0.001798   0.002963  -0.000354   0.000642  -0.000036
     3  N    0.012075  -0.025104  -0.066912  -0.012170   0.004186   0.002794
     4  Rh  -0.070168  -0.010721  -0.009837  -0.065935  -0.050397  -0.000233
     5  N    0.006765  -0.066876  -0.025160  -0.026386  -0.003093  -0.010238
     6  C   -0.093572   0.003004   0.001819   0.014947   0.001312  -0.010793
     7  C    5.819934   0.212586  -0.001842  -0.010856   0.002423   0.286460
     8  N    0.212586   6.683551  -0.012656  -0.024078   0.012923  -0.064045
     9  N   -0.001842  -0.012656   6.682470  -0.019788  -0.011308  -0.000081
    10  N   -0.010856  -0.024078  -0.019788   6.787470   0.127384   0.001765
    11  C    0.002423   0.012923  -0.011308   0.127384   5.927618   0.000254
    12  H    0.286460  -0.064045  -0.000081   0.001765   0.000254   0.398461
    13  H    0.326419  -0.017651   0.001613  -0.001650   0.000283  -0.006064
    14  H   -0.002002  -0.014727   0.000171   0.002074  -0.000012   0.022820
    15  H   -0.005961   0.007930   0.001263  -0.005467   0.002936   0.000861
    16  H    0.000416   0.000168  -0.014782   0.000233   0.000130  -0.000005
    17  H   -0.000136   0.001262   0.007984   0.001500  -0.000649   0.000002
    18  H    0.000136  -0.000081  -0.063998   0.000640   0.000085   0.000003
    19  H   -0.000245   0.001613  -0.017939   0.000607   0.000052  -0.000035
    20  H    0.000620  -0.001512   0.332986  -0.013073  -0.007324   0.000023
    21  H   -0.000182  -0.001868   0.375672  -0.001096  -0.004452   0.000020
    22  H    0.001233  -0.012590  -0.006991  -0.001449   0.000743   0.000595
    23  H    0.005883  -0.001676  -0.007838  -0.002440   0.001536  -0.000058
    24  H   -0.031314  -0.007024  -0.012609   0.005138  -0.000900  -0.001942
    25  H    0.027405  -0.007829  -0.001722  -0.004419  -0.003067  -0.001251
    26  H   -0.028025   0.332939  -0.001519  -0.012896   0.012657  -0.014191
    27  H   -0.028124   0.375457  -0.001867   0.001199   0.006894   0.013029
    28  C   -0.000095  -0.011277   0.013079   0.033968  -0.157751   0.000083
    29  N    0.005110  -0.019894  -0.023986  -0.084700   0.033827   0.000639
    30  H   -0.010321  -0.012393   0.003868   0.406761  -0.078067   0.000195
    31  H   -0.002239   0.003656  -0.005216   0.313337   0.007849  -0.000162
    32  H    0.002725  -0.004534  -0.000253  -0.024771   0.334748   0.000277
    33  H   -0.000347   0.001942   0.000042  -0.054649   0.286783   0.000014
    34  H   -0.000048   0.000045   0.001931  -0.012840  -0.003460  -0.000000
    35  H   -0.000055  -0.000255  -0.004557   0.006577  -0.019312  -0.000006
    36  H   -0.000015   0.003821  -0.012407  -0.009630   0.052426   0.000075
    37  H   -0.000129  -0.005243   0.003708  -0.016904  -0.026951   0.000232
              13         14         15         16         17         18
     1  C   -0.000247   0.000413  -0.000136  -0.002062  -0.005762   0.286301
     2  C   -0.000343  -0.000074   0.000273   0.284882   0.302856  -0.010887
     3  N   -0.004653   0.001534   0.000293  -0.053944  -0.014223  -0.010260
     4  Rh   0.005099  -0.003944   0.007313  -0.003886   0.007306  -0.000211
     5  N    0.013549  -0.053910  -0.014302   0.001532   0.000294   0.002798
     6  C   -0.018430   0.284732   0.303120  -0.000076   0.000272  -0.000036
     7  C    0.326419  -0.002002  -0.005961   0.000416  -0.000136   0.000136
     8  N   -0.017651  -0.014727   0.007930   0.000168   0.001262  -0.000081
     9  N    0.001613   0.000171   0.001263  -0.014782   0.007984  -0.063998
    10  N   -0.001650   0.002074  -0.005467   0.000233   0.001500   0.000640
    11  C    0.000283  -0.000012   0.002936   0.000130  -0.000649   0.000085
    12  H   -0.006064   0.022820   0.000861  -0.000005   0.000002   0.000003
    13  H    0.416225  -0.003768   0.003787  -0.000220   0.000065  -0.000036
    14  H   -0.003768   0.413874  -0.020487   0.000007   0.000015  -0.000005
    15  H    0.003787  -0.020487   0.456987   0.000015  -0.000016   0.000002
    16  H   -0.000220   0.000007   0.000015   0.413857  -0.020406   0.022832
    17  H    0.000065   0.000015  -0.000016  -0.020406   0.456750   0.000902
    18  H   -0.000036  -0.000005   0.000002   0.022832   0.000902   0.398425
    19  H   -0.000915  -0.000218   0.000064  -0.003766   0.003814  -0.005888
    20  H    0.000133   0.000060   0.000029  -0.002260   0.003654  -0.014094
    21  H    0.000208   0.000255   0.000189  -0.000594  -0.000004   0.012983
    22  H    0.000761   0.000176  -0.000049  -0.019762   0.001381  -0.001951
    23  H    0.000869  -0.000323   0.000035   0.015780  -0.032180  -0.001258
    24  H   -0.000762  -0.019758   0.001413   0.000172  -0.000054   0.000593
    25  H    0.000544   0.015768  -0.032178  -0.000321   0.000038  -0.000052
    26  H    0.001886  -0.002269   0.003625   0.000060   0.000029   0.000023
    27  H   -0.024541  -0.000607   0.000004   0.000256   0.000187   0.000020
    28  C    0.000054   0.000131  -0.000647  -0.000014   0.002923   0.000242
    29  N    0.000599   0.000233   0.001505   0.002063  -0.005490   0.001772
    30  H   -0.000326   0.001785  -0.002463   0.000005   0.000111   0.000075
    31  H   -0.000079  -0.000325  -0.000022   0.000014   0.000473   0.000230
    32  H    0.000174  -0.000055   0.000428   0.000001  -0.000091  -0.000006
    33  H    0.000001   0.000036  -0.000035   0.000002  -0.000015  -0.000000
    34  H   -0.000001   0.000002  -0.000015   0.000036  -0.000038   0.000013
    35  H   -0.000008   0.000001  -0.000090  -0.000054   0.000425   0.000279
    36  H   -0.000105   0.000005   0.000111   0.001777  -0.002481   0.000194
    37  H    0.000306   0.000014   0.000474  -0.000325  -0.000027  -0.000165
              19         20         21         22         23         24
     1  C    0.326959  -0.027783  -0.028373  -0.031537   0.027393   0.001204
     2  C   -0.018489  -0.020091   0.027928  -0.000820  -0.030308  -0.005826
     3  N    0.013496  -0.011690  -0.008368   0.350111   0.368045  -0.005585
     4  Rh   0.005005   0.019751  -0.023637   0.000024  -0.008164   0.000037
     5  N   -0.004613   0.006357  -0.005447  -0.005734  -0.001844   0.350060
     6  C   -0.000344  -0.000681   0.000244  -0.005819  -0.003170  -0.000971
     7  C   -0.000245   0.000620  -0.000182   0.001233   0.005883  -0.031314
     8  N    0.001613  -0.001512  -0.001868  -0.012590  -0.001676  -0.007024
     9  N   -0.017939   0.332986   0.375672  -0.006991  -0.007838  -0.012609
    10  N    0.000607  -0.013073  -0.001096  -0.001449  -0.002440   0.005138
    11  C    0.000052  -0.007324  -0.004452   0.000743   0.001536  -0.000900
    12  H   -0.000035   0.000023   0.000020   0.000595  -0.000058  -0.001942
    13  H   -0.000915   0.000133   0.000208   0.000761   0.000869  -0.000762
    14  H   -0.000218   0.000060   0.000255   0.000176  -0.000323  -0.019758
    15  H    0.000064   0.000029   0.000189  -0.000049   0.000035   0.001413
    16  H   -0.003766  -0.002260  -0.000594  -0.019762   0.015780   0.000172
    17  H    0.003814   0.003654  -0.000004   0.001381  -0.032180  -0.000054
    18  H   -0.005888  -0.014094   0.012983  -0.001951  -0.001258   0.000593
    19  H    0.416037   0.001908  -0.024469  -0.000726   0.000529   0.000798
    20  H    0.001908   0.575524  -0.090775   0.001587  -0.001882  -0.000212
    21  H   -0.024469  -0.090775   0.475506  -0.001083  -0.000863  -0.001308
    22  H   -0.000726   0.001587  -0.001083   0.567577  -0.102457  -0.000768
    23  H    0.000529  -0.001882  -0.000863  -0.102457   0.495623  -0.000503
    24  H    0.000798  -0.000212  -0.001308  -0.000768  -0.000503   0.567571
    25  H    0.000887   0.002740  -0.002169  -0.000512   0.000943  -0.102423
    26  H    0.000133  -0.000545  -0.000418  -0.000210   0.002746   0.001603
    27  H    0.000208  -0.000416  -0.000171  -0.001293  -0.002150  -0.001088
    28  C    0.000286   0.012469   0.006844  -0.000898  -0.003059   0.000743
    29  N   -0.001645  -0.012847   0.001252   0.005149  -0.004455  -0.001449
    30  H   -0.000105   0.002417   0.001777  -0.000241  -0.000468   0.001526
    31  H    0.000306  -0.004483  -0.000751  -0.000456  -0.000223   0.000904
    32  H   -0.000009  -0.000090   0.000176   0.000078   0.000306  -0.000114
    33  H   -0.000001   0.001281  -0.000295   0.000015   0.000010   0.000038
    34  H    0.000001   0.000608   0.000013   0.000038   0.000111   0.000015
    35  H    0.000171   0.004390  -0.000623  -0.000114   0.000436   0.000078
    36  H   -0.000327  -0.008340  -0.000798   0.001530  -0.000413  -0.000240
    37  H   -0.000080   0.000832   0.000723   0.000910  -0.002855  -0.000457
              25         26         27         28         29         30
     1  C    0.005913   0.000625  -0.000181   0.002449  -0.010952  -0.000012
     2  C   -0.003182  -0.000690   0.000245   0.001298   0.015044   0.000390
     3  N   -0.001882   0.006373  -0.005441  -0.003047  -0.026222  -0.001764
     4  Rh  -0.008283   0.019853  -0.023740  -0.050515  -0.066205  -0.016716
     5  N    0.368226  -0.011698  -0.008402   0.004209  -0.012209  -0.009455
     6  C   -0.030300  -0.019929   0.027836   0.000631  -0.000367   0.016805
     7  C    0.027405  -0.028025  -0.028124  -0.000095   0.005110  -0.010321
     8  N   -0.007829   0.332939   0.375457  -0.011277  -0.019894  -0.012393
     9  N   -0.001722  -0.001519  -0.001867   0.013079  -0.023986   0.003868
    10  N   -0.004419  -0.012896   0.001199   0.033968  -0.084700   0.406761
    11  C   -0.003067   0.012657   0.006894  -0.157751   0.033827  -0.078067
    12  H   -0.001251  -0.014191   0.013029   0.000083   0.000639   0.000195
    13  H    0.000544   0.001886  -0.024541   0.000054   0.000599  -0.000326
    14  H    0.015768  -0.002269  -0.000607   0.000131   0.000233   0.001785
    15  H   -0.032178   0.003625   0.000004  -0.000647   0.001505  -0.002463
    16  H   -0.000321   0.000060   0.000256  -0.000014   0.002063   0.000005
    17  H    0.000038   0.000029   0.000187   0.002923  -0.005490   0.000111
    18  H   -0.000052   0.000023   0.000020   0.000242   0.001772   0.000075
    19  H    0.000887   0.000133   0.000208   0.000286  -0.001645  -0.000105
    20  H    0.002740  -0.000545  -0.000416   0.012469  -0.012847   0.002417
    21  H   -0.002169  -0.000418  -0.000171   0.006844   0.001252   0.001777
    22  H   -0.000512  -0.000210  -0.001293  -0.000898   0.005149  -0.000241
    23  H    0.000943   0.002746  -0.002150  -0.003059  -0.004455  -0.000468
    24  H   -0.102423   0.001603  -0.001088   0.000743  -0.001449   0.001526
    25  H    0.495514  -0.001877  -0.000861   0.001543  -0.002435  -0.000397
    26  H   -0.001877   0.575610  -0.090538  -0.007415  -0.013154  -0.008387
    27  H   -0.000861  -0.090538   0.475320  -0.004486  -0.001131  -0.000817
    28  C    0.001543  -0.007415  -0.004486   5.926742   0.127792   0.052486
    29  N   -0.002435  -0.013154  -0.001131   0.127792   6.787326  -0.009702
    30  H   -0.000397  -0.008387  -0.000817   0.052486  -0.009702   0.524958
    31  H   -0.002857   0.000832   0.000726  -0.026920  -0.016832  -0.104634
    32  H    0.000437   0.004407  -0.000632  -0.019139   0.006601  -0.019201
    33  H    0.000110   0.000612   0.000014  -0.003385  -0.012829   0.019298
    34  H    0.000010   0.001288  -0.000293   0.286961  -0.054843   0.000672
    35  H    0.000307  -0.000096   0.000176   0.334841  -0.024693   0.000389
    36  H   -0.000468   0.002413   0.001797  -0.077878   0.406871  -0.002033
    37  H   -0.000224  -0.004506  -0.000753   0.007807   0.313184  -0.000030
              31         32         33         34         35         36
     1  C   -0.000127  -0.000056  -0.000045  -0.000347   0.002721  -0.010313
     2  C   -0.000250   0.000123   0.000088   0.001172  -0.004562   0.016715
     3  N   -0.001248  -0.000085  -0.000055   0.000493   0.001892  -0.009461
     4  Rh   0.018858   0.010468   0.000047   0.000155   0.010568  -0.016598
     5  N    0.000390   0.001912   0.000494  -0.000055  -0.000078  -0.001768
     6  C    0.001823  -0.004574   0.001175   0.000089   0.000120   0.000389
     7  C   -0.002239   0.002725  -0.000347  -0.000048  -0.000055  -0.000015
     8  N    0.003656  -0.004534   0.001942   0.000045  -0.000255   0.003821
     9  N   -0.005216  -0.000253   0.000042   0.001931  -0.004557  -0.012407
    10  N    0.313337  -0.024771  -0.054649  -0.012840   0.006577  -0.009630
    11  C    0.007849   0.334748   0.286783  -0.003460  -0.019312   0.052426
    12  H   -0.000162   0.000277   0.000014  -0.000000  -0.000006   0.000075
    13  H   -0.000079   0.000174   0.000001  -0.000001  -0.000008  -0.000105
    14  H   -0.000325  -0.000055   0.000036   0.000002   0.000001   0.000005
    15  H   -0.000022   0.000428  -0.000035  -0.000015  -0.000090   0.000111
    16  H    0.000014   0.000001   0.000002   0.000036  -0.000054   0.001777
    17  H    0.000473  -0.000091  -0.000015  -0.000038   0.000425  -0.002481
    18  H    0.000230  -0.000006  -0.000000   0.000013   0.000279   0.000194
    19  H    0.000306  -0.000009  -0.000001   0.000001   0.000171  -0.000327
    20  H   -0.004483  -0.000090   0.001281   0.000608   0.004390  -0.008340
    21  H   -0.000751   0.000176  -0.000295   0.000013  -0.000623  -0.000798
    22  H   -0.000456   0.000078   0.000015   0.000038  -0.000114   0.001530
    23  H   -0.000223   0.000306   0.000010   0.000111   0.000436  -0.000413
    24  H    0.000904  -0.000114   0.000038   0.000015   0.000078  -0.000240
    25  H   -0.002857   0.000437   0.000110   0.000010   0.000307  -0.000468
    26  H    0.000832   0.004407   0.000612   0.001288  -0.000096   0.002413
    27  H    0.000726  -0.000632   0.000014  -0.000293   0.000176   0.001797
    28  C   -0.026920  -0.019139  -0.003385   0.286961   0.334841  -0.077878
    29  N   -0.016832   0.006601  -0.012829  -0.054843  -0.024693   0.406871
    30  H   -0.104634  -0.019201   0.019298   0.000672   0.000389  -0.002033
    31  H    0.545802   0.000702  -0.016216  -0.002099   0.001874  -0.000031
    32  H    0.000702   0.410410  -0.012979  -0.004326   0.005816   0.000362
    33  H   -0.016216  -0.012979   0.398982   0.014889  -0.004337   0.000670
    34  H   -0.002099  -0.004326   0.014889   0.399018  -0.012909   0.019227
    35  H    0.001874   0.005816  -0.004337  -0.012909   0.410160  -0.019194
    36  H   -0.000031   0.000362   0.000670   0.019227  -0.019194   0.524584
    37  H    0.000885   0.001925  -0.002105  -0.016111   0.000716  -0.104552
              37
     1  C   -0.002264
     2  C    0.001874
     3  N    0.000391
     4  Rh   0.018755
     5  N   -0.001249
     6  C   -0.000251
     7  C   -0.000129
     8  N   -0.005243
     9  N    0.003708
    10  N   -0.016904
    11  C   -0.026951
    12  H    0.000232
    13  H    0.000306
    14  H    0.000014
    15  H    0.000474
    16  H   -0.000325
    17  H   -0.000027
    18  H   -0.000165
    19  H   -0.000080
    20  H    0.000832
    21  H    0.000723
    22  H    0.000910
    23  H   -0.002855
    24  H   -0.000457
    25  H   -0.000224
    26  H   -0.004506
    27  H   -0.000753
    28  C    0.007807
    29  N    0.313184
    30  H   -0.000030
    31  H    0.000885
    32  H    0.001925
    33  H   -0.002105
    34  H   -0.016111
    35  H    0.000716
    36  H   -0.104552
    37  H    0.545789
 Mulliken charges:
               1
     1  C   -0.427101
     2  C   -0.482493
     3  N   -0.279858
     4  Rh   0.181526
     5  N   -0.280032
     6  C   -0.482631
     7  C   -0.427503
     8  N   -0.318850
     9  N   -0.318761
    10  N   -0.303146
    11  C   -0.450853
    12  H    0.380402
    13  H    0.307223
    14  H    0.378377
    15  H    0.289212
    16  H    0.378242
    17  H    0.289329
    18  H    0.380378
    19  H    0.306940
    20  H    0.250731
    21  H    0.293949
    22  H    0.263552
    23  H    0.288342
    24  H    0.263417
    25  H    0.288324
    26  H    0.250650
    27  H    0.294163
    28  C   -0.451058
    29  N   -0.302928
    30  H    0.244014
    31  H    0.286508
    32  H    0.308839
    33  H    0.380749
    34  H    0.380597
    35  H    0.309004
    36  H    0.244087
    37  H    0.286658
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.260216
     2  C    0.185078
     3  N    0.272037
     4  Rh   0.181526
     5  N    0.271709
     6  C    0.184958
     7  C    0.260122
     8  N    0.225963
     9  N    0.225919
    10  N    0.227376
    11  C    0.238735
    28  C    0.238543
    29  N    0.227817
 Electronic spatial extent (au):  <R**2>=           2778.2611
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0017    Y=              0.0360    Z=              0.0018  Tot=              0.0361
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.3932   YY=            -31.6243   ZZ=            -53.0748
   XY=              0.0115   XZ=              0.1001   YZ=             -0.0020
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              7.3043   YY=              7.0731   ZZ=            -14.3774
   XY=              0.0115   XZ=              0.1001   YZ=             -0.0020
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -2.4356  YYY=             37.3070  ZZZ=              0.0011  XYY=              2.4130
  XXY=            -36.5060  XXZ=             -0.0435  XZZ=             -0.0239  YZZ=             -0.3770
  YYZ=              0.0377  XYZ=             -0.7725
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1003.6115 YYYY=           -970.9007 ZZZZ=           -385.0663 XXXY=              0.3279
 XXXZ=             34.7162 YYYX=              0.0137 YYYZ=              2.4119 ZZZX=              4.7747
 ZZZY=             -0.1168 XXYY=           -326.5186 XXZZ=           -236.0868 YYZZ=           -238.3079
 XXYZ=             -2.3862 YYXZ=            -37.1521 ZZXY=             -0.0992
 N-N= 1.198128431971D+03 E-N=-3.906638333436D+03  KE= 6.086959390044D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 00:52:43 2021, MaxMem=  5637144576 cpu:               4.6 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.58655459D-04 1.43809002D-02 7.25989390D-04
 Polarizability= 1.49422457D+02-4.41604134D-03 1.48319784D+02
                -4.53560410D-02-4.68735167D-05 1.20631710D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0097    0.0064       -0.0015   -0.0013
 2     -0.0097   -0.0064        0.0001    0.0005       -0.5819   -0.5891
 3      0.0015    0.0013       15.7389   15.7306       -0.0000   -0.0005
 4     -0.0001   -0.0005       -0.0000    0.0000        0.0018    0.0013
 5    -15.1570  -15.1415       -0.0018   -0.0013        0.0089    0.0064
 6      0.0000    0.0005       -0.0089   -0.0064        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0192   -0.0192       -0.0040   -0.0040
 2     -0.0016   -0.0016        0.0000    0.0000       -0.0040   -0.0040
 3     -0.0016   -0.0016       -0.0192   -0.0192        0.0000    0.0000
 4     -0.0192   -0.0192        0.0016    0.0016       -1.7673   -1.7673
 5      0.0040    0.0040       47.1919   47.1919       -0.0016   -0.0016
 6    -45.4246  -45.4246       -0.0040   -0.0040        0.0192    0.0192
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0514    0.0000       -0.0949   -0.0256       -0.0389    0.0053
 2      0.1685    0.0256       -0.0500   -0.0021        2.3127    2.3564
 3     -0.0185   -0.0053      -62.9840  -62.9225       -0.0143    0.0021
 4      0.0469    0.0021       -0.0703    0.0000       -0.0471   -0.0053
 5     60.4466   60.5661        0.0239    0.0053       -0.0523   -0.0256
 6      0.0151   -0.0021       -0.0204    0.0256       -0.0058    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1469    0.0000        3.7066    4.5024        0.2924   -0.1956
 2     -4.6183   -4.5024       -0.1216   -0.1347       -8.8414   -9.9279
 3      0.3974    0.1956        2.3840    1.5459       -0.2765    0.1347
 4      0.2767    0.1347        0.6930    0.0000       -0.0398    0.1956
 5      7.9997    8.3820       -0.2068   -0.1956        5.0734    4.5024
 6     -0.1804   -0.1347       -4.3072   -4.5024       -0.1300    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      6.9640    6.9759       91.4861   91.3953       -0.3491   -0.3733
 2      7.1185    7.1176       97.2976   97.2751       -0.3314   -0.3733
 3      7.1151    7.1176       91.4309   91.3953       -0.4209   -0.4376
 4     -5.7740   -5.8798       -0.0993   -0.1417        3.3357    3.2472
 5     -0.0163   -0.0643      -36.3978  -36.4794        0.1254    0.1417
 6     33.3861   33.2322        0.0282    0.0643        5.6914    5.8798
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.4836  -11.2898   -6.5340   -0.0004   -0.0003   -0.0002
 Low frequencies ---   84.2247   87.9363  101.8202
 Diagonal vibrational polarizability:
       14.0892078      12.8852557      13.4777204
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     84.1902                87.9342               101.7887
 Red. masses --      2.9562                 2.9808                 2.8609
 Frc consts  --      0.0123                 0.0136                 0.0175
 IR Inten    --      0.0095                 0.0097                 0.0472
 RamAct Fr= 1--      1.1624                 1.0761                 0.1855
  Dep-P Fr= 1--      0.7495                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1660                 0.1537                 0.0265
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.5010                -0.2454                 0.1213
 Delta2 Fr= 1--     -0.0792                -0.0600                -0.0082
 Raman1 Fr= 1--       4.650                  4.304                  0.742
 ROA1   Fr= 1--     -50.627                -25.480                 11.378
 CID1   Fr= 1--     -10.888                 -5.919                 15.334
 Raman2 Fr= 1--       1.992                  1.845                  0.318
 ROA2   Fr= 1--     -11.389                 -5.411                  2.976
 CID2   Fr= 1--      -5.718                 -2.933                  9.358
 Raman3 Fr= 1--       3.984                  3.689                  0.636
 ROA3   Fr= 1--     -50.627                -25.480                 11.378
 CID3   Fr= 1--     -12.708                 -6.906                 17.890
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.04   0.01    -0.11   0.15   0.08     0.07   0.03  -0.09
     2   6    -0.08   0.09   0.01    -0.02   0.18   0.08    -0.03  -0.03  -0.09
     3   7    -0.08   0.00   0.01     0.01  -0.02  -0.05    -0.05   0.02   0.02
     4  45    -0.02  -0.04   0.01     0.03  -0.02  -0.01     0.01   0.00   0.06
     5   7     0.03  -0.02   0.04     0.07   0.01  -0.03    -0.06  -0.02   0.02
     6   6     0.07   0.19  -0.08     0.06  -0.02   0.03    -0.03   0.03  -0.09
     7   6     0.15   0.14  -0.08     0.00  -0.04   0.03     0.06  -0.04  -0.08
     8   7    -0.03   0.01   0.04     0.01  -0.03   0.02     0.03  -0.09   0.03
     9   7     0.01  -0.02  -0.03     0.03   0.03  -0.02     0.03   0.08   0.04
    10   7     0.04  -0.06   0.02     0.00   0.02   0.02     0.05  -0.04   0.02
    11   6     0.08  -0.07   0.03    -0.14   0.04  -0.02    -0.11   0.04  -0.12
    12   1     0.17   0.29  -0.14    -0.01  -0.07   0.08     0.08  -0.01  -0.14
    13   1     0.31   0.04  -0.09    -0.04  -0.04   0.00     0.12  -0.09  -0.10
    14   1     0.20   0.27  -0.14     0.05  -0.02   0.03    -0.01   0.06  -0.15
    15   1    -0.09   0.29  -0.10     0.09  -0.02   0.06    -0.10   0.07  -0.09
    16   1    -0.15   0.13   0.04    -0.13   0.25   0.14    -0.00  -0.07  -0.16
    17   1    -0.03   0.14  -0.01     0.13   0.26   0.11    -0.10  -0.08  -0.09
    18   1    -0.07   0.10   0.00    -0.13   0.28   0.15     0.08  -0.00  -0.15
    19   1    -0.13  -0.00   0.04    -0.27   0.07   0.08     0.14   0.08  -0.10
    20   1     0.05   0.02  -0.09     0.12   0.11  -0.11     0.00   0.05   0.12
    21   1     0.04  -0.08  -0.03     0.04  -0.09  -0.02     0.03   0.19   0.03
    22   1    -0.14  -0.02  -0.01    -0.10  -0.06  -0.17    -0.02   0.03   0.09
    23   1    -0.07  -0.01   0.01     0.13  -0.12  -0.03    -0.14   0.06   0.02
    24   1     0.15  -0.07   0.16     0.06   0.01  -0.08    -0.03  -0.02   0.09
    25   1    -0.08  -0.11   0.03     0.12   0.05  -0.02    -0.14  -0.05   0.02
    26   1    -0.12   0.11   0.15     0.02  -0.04   0.02     0.01  -0.06   0.11
    27   1    -0.06  -0.12   0.03    -0.01  -0.03   0.01     0.02  -0.19   0.03
    28   6     0.07  -0.01  -0.01    -0.15  -0.07  -0.03    -0.11  -0.03  -0.12
    29   7    -0.02  -0.01  -0.02    -0.03  -0.07  -0.00     0.05   0.04   0.02
    30   1     0.03  -0.10   0.01     0.03   0.09   0.09     0.09  -0.01   0.14
    31   1     0.04  -0.04   0.02     0.06  -0.03  -0.02     0.14  -0.15  -0.05
    32   1     0.07  -0.12   0.05    -0.15   0.14  -0.00    -0.11   0.21  -0.12
    33   1     0.14  -0.07   0.04    -0.21   0.03  -0.04    -0.20  -0.02  -0.22
    34   1     0.09  -0.01   0.00    -0.24  -0.06  -0.06    -0.19   0.03  -0.21
    35   1     0.09   0.04  -0.03    -0.15  -0.17  -0.04    -0.12  -0.20  -0.11
    36   1    -0.04   0.02  -0.08    -0.01  -0.13   0.04     0.09   0.01   0.15
    37   1    -0.06  -0.04   0.00     0.00  -0.01  -0.02     0.15   0.15  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    144.5414               145.1794               163.0770
 Red. masses --      2.9263                 2.9334                 2.6836
 Frc consts  --      0.0360                 0.0364                 0.0420
 IR Inten    --      0.7408                 0.5929                 0.1302
 RamAct Fr= 1--      0.3613                 0.2434                 1.6966
  Dep-P Fr= 1--      0.7455                 0.6957                 0.7273
  Dep-U Fr= 1--      0.8542                 0.8206                 0.8421
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0007
 Beta2  Fr= 1--      0.0514                 0.0333                 0.2381
 AlphaG Fr= 1--     -0.0000                -0.0002                -0.0070
 Gamma2 Fr= 1--      0.9911                 0.8233                -1.8828
 Delta2 Fr= 1--      0.2668                 0.2061                -0.6066
 Raman1 Fr= 1--       1.445                  0.974                  6.786
 ROA1   Fr= 1--     103.683                 85.633               -200.160
 CID1   Fr= 1--      71.737                 87.953                -29.494
 Raman2 Fr= 1--       0.617                  0.399                  2.857
 ROA2   Fr= 1--      21.652                 18.110                -40.334
 CID2   Fr= 1--      35.076                 45.337                -14.115
 Raman3 Fr= 1--       1.235                  0.799                  5.715
 ROA3   Fr= 1--     103.683                 85.633               -200.160
 CID3   Fr= 1--      83.984                107.186                -35.024
 RC180  Fr= 1--       0.708                  0.641                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.00   0.07    -0.06   0.09  -0.05    -0.07   0.07   0.01
     2   6     0.05  -0.10   0.06    -0.01  -0.06  -0.07     0.02  -0.09  -0.01
     3   7     0.07  -0.08  -0.03    -0.00  -0.10  -0.09     0.03  -0.07  -0.06
     4  45    -0.01   0.01   0.00    -0.01  -0.02   0.00     0.00   0.00  -0.00
     5   7     0.06   0.12  -0.08     0.05  -0.03   0.04    -0.04  -0.07   0.06
     6   6     0.04   0.11  -0.00     0.05   0.01   0.09    -0.02  -0.09   0.01
     7   6    -0.07  -0.06   0.02     0.02   0.07   0.08     0.07   0.07  -0.01
     8   7    -0.09  -0.09   0.09    -0.01   0.06   0.01     0.06   0.08  -0.08
     9   7    -0.08   0.03   0.08    -0.04   0.11   0.05    -0.06   0.09   0.08
    10   7     0.07  -0.05   0.00    -0.11  -0.04  -0.09     0.10   0.01   0.07
    11   6     0.07  -0.02  -0.05    -0.03  -0.01  -0.13     0.04  -0.00   0.08
    12   1    -0.10  -0.11   0.11     0.02   0.11   0.09     0.09   0.14  -0.08
    13   1    -0.13  -0.11  -0.11     0.03   0.08   0.11     0.13   0.11   0.12
    14   1     0.09   0.17  -0.09     0.07   0.01   0.13    -0.08  -0.15   0.10
    15   1     0.05   0.19   0.13     0.04   0.01   0.07    -0.01  -0.18  -0.11
    16   1     0.10  -0.13   0.02    -0.00  -0.09  -0.15     0.07  -0.15  -0.10
    17   1     0.06  -0.15   0.15    -0.00  -0.11   0.03     0.00  -0.18   0.11
    18   1    -0.07   0.02   0.14    -0.07   0.16  -0.00    -0.09   0.14   0.09
    19   1    -0.08   0.04  -0.01    -0.10   0.14  -0.15    -0.13   0.12  -0.12
    20   1    -0.07   0.02   0.16    -0.01   0.11   0.17    -0.03   0.09   0.18
    21   1    -0.15   0.08   0.07    -0.09   0.20   0.04    -0.11   0.17   0.07
    22   1     0.10  -0.05  -0.14    -0.01  -0.08  -0.18     0.06  -0.06  -0.13
    23   1     0.13  -0.16  -0.02     0.01  -0.20  -0.07     0.06  -0.14  -0.06
    24   1     0.08   0.09  -0.22     0.07  -0.03   0.05    -0.06  -0.05   0.13
    25   1     0.11   0.24  -0.06     0.08  -0.05   0.04    -0.06  -0.14   0.05
    26   1    -0.06  -0.08   0.23    -0.04   0.07  -0.02     0.03   0.09  -0.17
    27   1    -0.18  -0.19   0.08    -0.03   0.10   0.01     0.11   0.16  -0.07
    28   6     0.04   0.02  -0.12     0.07   0.00   0.07    -0.04  -0.00  -0.08
    29   7    -0.02   0.06  -0.06     0.13  -0.01   0.07    -0.09   0.01  -0.07
    30   1     0.08  -0.09   0.07    -0.14  -0.04  -0.20     0.12  -0.01   0.16
    31   1     0.12  -0.06  -0.03    -0.21  -0.07  -0.04     0.18   0.02   0.03
    32   1     0.03  -0.02  -0.01     0.08   0.03  -0.25    -0.05  -0.03   0.18
    33   1     0.12  -0.04  -0.07    -0.14  -0.03  -0.18     0.13   0.00   0.11
    34   1     0.00   0.05  -0.17     0.19  -0.01   0.10    -0.14   0.01  -0.11
    35   1     0.08  -0.01  -0.17    -0.04   0.04   0.19     0.05  -0.04  -0.18
    36   1    -0.03   0.09  -0.08     0.16   0.02   0.19    -0.11  -0.01  -0.15
    37   1    -0.04   0.09  -0.05     0.23  -0.03   0.01    -0.17   0.03  -0.03
                      7                      8                      9
                      A                      A                      A
 Frequencies --    215.2628               217.8485               221.5678
 Red. masses --      2.8013                 2.7824                 2.9697
 Frc consts  --      0.0765                 0.0778                 0.0859
 IR Inten    --      4.4550                 5.9166                15.5955
 RamAct Fr= 1--      3.1532                 3.2244                 0.0944
  Dep-P Fr= 1--      0.7279                 0.7500                 0.7316
  Dep-U Fr= 1--      0.8425                 0.8571                 0.8450
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4428                 0.4606                 0.0133
 AlphaG Fr= 1--     -0.0057                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.3052                -0.5076                -0.1311
 Delta2 Fr= 1--      0.1661                 0.0558                -0.0328
 Raman1 Fr= 1--      12.613                 12.898                  0.377
 ROA1   Fr= 1--     -23.981                -46.947                -13.633
 CID1   Fr= 1--      -1.901                 -3.640                -36.122
 Raman2 Fr= 1--       5.313                  5.527                  0.159
 ROA2   Fr= 1--      -8.653                -12.629                 -2.883
 CID2   Fr= 1--      -1.629                 -2.285                -18.079
 Raman3 Fr= 1--      10.626                 11.055                  0.319
 ROA3   Fr= 1--     -23.981                -46.947                -13.633
 CID3   Fr= 1--      -2.257                 -4.247                -42.748
 RC180  Fr= 1--       0.685                  0.714                  0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01    -0.07  -0.08  -0.00     0.00   0.04  -0.04
     2   6    -0.09  -0.00  -0.01    -0.05  -0.01  -0.00    -0.01   0.03  -0.04
     3   7    -0.11   0.10   0.10    -0.04  -0.06  -0.06    -0.01  -0.10  -0.04
     4  45     0.00  -0.01  -0.00    -0.01   0.00   0.02     0.00  -0.00   0.07
     5   7     0.11   0.09  -0.09    -0.03   0.07  -0.06    -0.00   0.10  -0.04
     6   6     0.09  -0.00   0.01    -0.05   0.01   0.00    -0.01  -0.03  -0.04
     7   6    -0.01   0.00   0.01    -0.06   0.08  -0.00    -0.00  -0.03  -0.04
     8   7     0.06   0.07  -0.08     0.00   0.13  -0.05     0.11   0.03  -0.04
     9   7    -0.06   0.08   0.09    -0.00  -0.12  -0.05     0.10  -0.03  -0.04
    10   7     0.02  -0.07  -0.02     0.14  -0.03   0.08    -0.12  -0.06  -0.04
    11   6     0.01  -0.10   0.02     0.02   0.03  -0.02     0.02  -0.06  -0.04
    12   1    -0.04  -0.07   0.10    -0.06   0.04   0.00     0.00  -0.12  -0.03
    13   1    -0.12   0.06  -0.01    -0.11   0.13   0.03    -0.08   0.01  -0.03
    14   1     0.04  -0.03   0.05    -0.09  -0.03   0.07    -0.10  -0.07  -0.04
    15   1     0.18  -0.04   0.05     0.02  -0.05  -0.03     0.07  -0.08  -0.03
    16   1    -0.04  -0.04  -0.05    -0.09   0.03   0.06    -0.10   0.07  -0.04
    17   1    -0.19  -0.04  -0.05     0.01   0.05  -0.03     0.07   0.07  -0.03
    18   1     0.04  -0.07  -0.10    -0.06  -0.04  -0.00     0.01   0.12  -0.04
    19   1     0.13   0.06   0.01    -0.11  -0.12   0.03    -0.07  -0.01  -0.03
    20   1    -0.08   0.03   0.24    -0.00  -0.10  -0.16     0.12   0.01  -0.17
    21   1    -0.13   0.21   0.07     0.06  -0.20  -0.04     0.21  -0.12  -0.02
    22   1    -0.08   0.10   0.26    -0.06  -0.06  -0.16    -0.05  -0.11  -0.18
    23   1    -0.19   0.25   0.08     0.01  -0.16  -0.04     0.01  -0.25  -0.02
    24   1     0.08   0.09  -0.25    -0.06   0.07  -0.17    -0.05   0.11  -0.18
    25   1     0.20   0.23  -0.07     0.02   0.17  -0.05     0.02   0.25  -0.02
    26   1     0.08   0.03  -0.23     0.01   0.10  -0.17     0.13  -0.01  -0.18
    27   1     0.13   0.19  -0.07     0.07   0.21  -0.04     0.22   0.12  -0.02
    28   6    -0.01  -0.10  -0.02     0.02  -0.04  -0.02     0.02   0.06  -0.04
    29   7    -0.02  -0.07   0.02     0.14   0.02   0.08    -0.12   0.06  -0.04
    30   1     0.02  -0.07  -0.01     0.18  -0.05   0.25    -0.16  -0.09  -0.18
    31   1     0.02  -0.05  -0.02     0.28  -0.08  -0.01    -0.25  -0.06   0.04
    32   1    -0.02  -0.14   0.05     0.02   0.18  -0.02     0.02  -0.15  -0.04
    33   1     0.04  -0.08   0.06    -0.06  -0.01  -0.10     0.10  -0.07  -0.03
    34   1    -0.05  -0.08  -0.06    -0.06   0.01  -0.10     0.09   0.06  -0.05
    35   1     0.01  -0.13  -0.05     0.01  -0.18  -0.02     0.03   0.14  -0.05
    36   1    -0.02  -0.08   0.01     0.18   0.04   0.25    -0.16   0.09  -0.18
    37   1    -0.03  -0.06   0.02     0.28   0.07  -0.00    -0.25   0.07   0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    249.8713               290.3703               302.3422
 Red. masses --      4.7062                 2.0253                 2.0123
 Frc consts  --      0.1731                 0.1006                 0.1084
 IR Inten    --      0.0317                 1.6767                 1.5088
 RamAct Fr= 1--     18.3186                 1.0544                 2.1618
  Dep-P Fr= 1--      0.0779                 0.7461                 0.5180
  Dep-U Fr= 1--      0.1446                 0.8546                 0.6825
 Alpha2 Fr= 1--      0.3384                 0.0001                 0.0098
 Beta2  Fr= 1--      0.4414                 0.1502                 0.2459
 AlphaG Fr= 1--      0.1666                -0.0001                -0.0327
 Gamma2 Fr= 1--      5.3437                 0.3487                -1.4896
 Delta2 Fr= 1--      0.5223                -0.1832                -0.2411
 Raman1 Fr= 1--      73.274                  4.217                  8.647
 ROA1   Fr= 1--     529.713                 27.612               -150.716
 CID1   Fr= 1--       7.229                  6.547                -17.430
 Raman2 Fr= 1--       5.297                  1.802                  2.951
 ROA2   Fr= 1--     124.071                  9.834                -33.822
 CID2   Fr= 1--      23.421                  5.457                -11.462
 Raman3 Fr= 1--      10.595                  3.604                  5.902
 ROA3   Fr= 1--     529.713                 27.612               -150.716
 CID3   Fr= 1--      49.998                  7.661                -25.537
 RC180  Fr= 1--      -0.711                  0.709                  0.365
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.15  -0.09   0.01    -0.11   0.04   0.00    -0.10   0.04   0.01
     2   6    -0.16  -0.08   0.00    -0.04  -0.11  -0.01     0.01  -0.09  -0.00
     3   7    -0.15  -0.00  -0.01    -0.04   0.03   0.02     0.01   0.07   0.01
     4  45     0.00  -0.00   0.00     0.04  -0.00   0.00     0.00   0.04   0.00
     5   7     0.15  -0.01   0.01    -0.04  -0.04   0.03    -0.01   0.07  -0.01
     6   6     0.16  -0.09  -0.00    -0.03   0.12  -0.01    -0.02  -0.08   0.00
     7   6     0.14  -0.10  -0.01    -0.11  -0.04   0.00     0.09   0.03  -0.01
     8   7     0.09  -0.11  -0.03     0.05   0.04  -0.00    -0.03  -0.04   0.06
     9   7    -0.09  -0.11   0.03     0.04  -0.04   0.00     0.03  -0.04  -0.06
    10   7    -0.01   0.12   0.05    -0.00   0.03  -0.02     0.01  -0.04  -0.04
    11   6    -0.01   0.18  -0.02    -0.00   0.01   0.01    -0.01  -0.06  -0.02
    12   1     0.13  -0.05   0.02    -0.14  -0.24   0.10     0.12   0.17  -0.12
    13   1     0.16  -0.11  -0.01    -0.30  -0.00  -0.12     0.25  -0.01   0.09
    14   1     0.09  -0.12  -0.01     0.12   0.23  -0.13    -0.16  -0.18   0.09
    15   1     0.20  -0.12   0.00    -0.15   0.27   0.10     0.08  -0.21  -0.09
    16   1    -0.10  -0.11   0.01     0.09  -0.21  -0.12     0.16  -0.20  -0.10
    17   1    -0.20  -0.11  -0.00    -0.15  -0.24   0.09    -0.11  -0.23   0.10
    18   1    -0.14  -0.05  -0.02    -0.12   0.22   0.09    -0.13   0.20   0.13
    19   1    -0.17  -0.11   0.01    -0.27   0.01  -0.10    -0.28   0.01  -0.10
    20   1    -0.08  -0.10   0.03     0.11   0.02  -0.08     0.07   0.02  -0.23
    21   1    -0.09  -0.11   0.03     0.08  -0.12   0.01     0.10  -0.19  -0.04
    22   1    -0.13   0.00   0.03     0.02   0.05   0.14     0.10   0.10   0.12
    23   1    -0.16   0.04  -0.02    -0.10   0.13   0.01    -0.05   0.16   0.00
    24   1     0.12  -0.00  -0.03     0.03  -0.06   0.17    -0.10   0.10  -0.11
    25   1     0.16   0.04   0.02    -0.12  -0.15   0.01     0.05   0.15  -0.00
    26   1     0.08  -0.10  -0.03     0.12  -0.03  -0.10    -0.06   0.02   0.22
    27   1     0.09  -0.11  -0.03     0.10   0.13   0.01    -0.10  -0.18   0.05
    28   6     0.02   0.18   0.02    -0.00  -0.01   0.00     0.01  -0.06   0.02
    29   7     0.01   0.12  -0.05    -0.00  -0.02  -0.02    -0.01  -0.04   0.04
    30   1    -0.01   0.13   0.04    -0.01   0.06  -0.07     0.02  -0.04  -0.02
    31   1    -0.03   0.07   0.05    -0.05   0.03   0.00     0.02  -0.05  -0.05
    32   1     0.02   0.25  -0.06    -0.00  -0.01   0.01     0.01  -0.06  -0.05
    33   1    -0.06   0.13  -0.10    -0.00   0.03   0.03    -0.04  -0.05  -0.01
    34   1     0.07   0.13   0.10    -0.01  -0.02   0.02     0.04  -0.05   0.01
    35   1    -0.01   0.25   0.06     0.00   0.01  -0.00    -0.01  -0.05   0.05
    36   1     0.01   0.13  -0.05    -0.01  -0.06  -0.07    -0.02  -0.05   0.01
    37   1     0.02   0.07  -0.05    -0.04  -0.02  -0.00    -0.03  -0.05   0.05
                     13                     14                     15
                      A                      A                      A
 Frequencies --    306.5561               330.0604               331.5285
 Red. masses --      1.8432                 3.0968                 3.1757
 Frc consts  --      0.1021                 0.1988                 0.2057
 IR Inten    --      0.7089                 6.2467                 7.4720
 RamAct Fr= 1--      1.4519                 2.7570                 2.7188
  Dep-P Fr= 1--      0.1517                 0.7455                 0.7493
  Dep-U Fr= 1--      0.2634                 0.8542                 0.8567
 Alpha2 Fr= 1--      0.0224                 0.0002                 0.0000
 Beta2  Fr= 1--      0.0637                 0.3925                 0.3882
 AlphaG Fr= 1--      0.0451                -0.0020                -0.0002
 Gamma2 Fr= 1--      0.1372                -2.2123                -3.3741
 Delta2 Fr= 1--     -0.0762                -0.1973                -0.0688
 Raman1 Fr= 1--       5.808                 11.028                 10.875
 ROA1   Fr= 1--      10.738               -218.693               -326.116
 CID1   Fr= 1--       1.849                -19.831                -29.987
 Raman2 Fr= 1--       0.765                  4.710                  4.658
 ROA2   Fr= 1--       3.903                -51.516                -80.429
 CID2   Fr= 1--       5.104                -10.937                -17.266
 Raman3 Fr= 1--       1.530                  9.420                  9.316
 ROA3   Fr= 1--      10.738               -218.693               -326.116
 CID3   Fr= 1--       7.021                -23.215                -35.004
 RC180  Fr= 1--      -0.473                  0.708                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.01    -0.02  -0.06  -0.00    -0.02  -0.10   0.00
     2   6     0.02  -0.01   0.01     0.00   0.03  -0.00    -0.12   0.03   0.00
     3   7     0.01   0.01   0.04     0.02  -0.00  -0.09    -0.10  -0.06  -0.06
     4  45     0.00  -0.02  -0.00    -0.02   0.08   0.00     0.09   0.02  -0.00
     5   7    -0.01   0.01  -0.04     0.03  -0.03   0.10    -0.09   0.05  -0.00
     6   6    -0.02  -0.00  -0.01     0.06   0.03  -0.00    -0.11  -0.00   0.00
     7   6    -0.03   0.03  -0.01     0.03  -0.10   0.00    -0.01   0.06   0.00
     8   7    -0.03   0.03  -0.01     0.11  -0.04  -0.02    -0.03   0.02   0.09
     9   7     0.03   0.03   0.01    -0.08  -0.02  -0.02    -0.08  -0.03   0.10
    10   7     0.07  -0.04   0.05     0.06  -0.10  -0.01    -0.00   0.02  -0.06
    11   6    -0.04   0.06  -0.10    -0.03  -0.08  -0.06    -0.00  -0.01  -0.02
    12   1    -0.03   0.03  -0.01     0.00  -0.21   0.08     0.03   0.10  -0.11
    13   1    -0.03   0.04  -0.00    -0.09  -0.09  -0.08     0.08   0.04   0.06
    14   1    -0.03  -0.02   0.03     0.12   0.10  -0.13    -0.16  -0.05   0.05
    15   1     0.00  -0.03  -0.03    -0.02   0.14   0.07    -0.07  -0.07  -0.06
    16   1     0.03  -0.02  -0.03    -0.02   0.07   0.09    -0.20   0.11   0.11
    17   1    -0.01  -0.03   0.03     0.06   0.09  -0.04    -0.04   0.14  -0.09
    18   1     0.03   0.04   0.01    -0.02  -0.14  -0.02     0.02  -0.20  -0.14
    19   1     0.03   0.04  -0.00     0.04  -0.06   0.04     0.12  -0.08   0.10
    20   1     0.04   0.04   0.01    -0.14  -0.06  -0.05    -0.11  -0.09   0.30
    21   1     0.02   0.03   0.01    -0.06  -0.03  -0.02    -0.21   0.14   0.07
    22   1     0.02   0.00   0.10     0.01   0.01  -0.26    -0.17  -0.08  -0.18
    23   1    -0.01   0.06   0.03     0.09  -0.17  -0.07    -0.04  -0.20  -0.04
    24   1    -0.02   0.00  -0.10     0.07  -0.03   0.31    -0.15   0.08  -0.03
    25   1     0.01   0.06  -0.03    -0.07  -0.23   0.08    -0.08   0.09   0.00
    26   1    -0.04   0.04  -0.02     0.16  -0.10  -0.09    -0.02   0.05   0.28
    27   1    -0.02   0.03  -0.01     0.16   0.03  -0.02    -0.16  -0.13   0.07
    28   6     0.05   0.06   0.10     0.02  -0.08   0.06     0.01  -0.03   0.01
    29   7    -0.08  -0.04  -0.06    -0.06  -0.08   0.04    -0.04  -0.07  -0.05
    30   1     0.13  -0.04   0.24     0.10  -0.14   0.16    -0.02   0.07  -0.15
    31   1     0.23  -0.15  -0.05     0.20  -0.16  -0.09    -0.10   0.00  -0.01
    32   1     0.07   0.29  -0.23     0.03   0.02  -0.13     0.02  -0.02  -0.04
    33   1    -0.26  -0.02  -0.26    -0.15  -0.10  -0.11    -0.03   0.02   0.01
    34   1     0.26  -0.03   0.26     0.15  -0.09   0.09     0.04  -0.07   0.06
    35   1    -0.05   0.30   0.23    -0.04   0.01   0.14     0.00   0.03   0.02
    36   1    -0.13  -0.04  -0.25    -0.08  -0.08  -0.06    -0.08  -0.12  -0.21
    37   1    -0.25  -0.14   0.05    -0.13  -0.13   0.09    -0.19  -0.07   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    400.7955               402.0299               404.3493
 Red. masses --      4.4782                 3.7781                 4.5721
 Frc consts  --      0.4238                 0.3598                 0.4404
 IR Inten    --      1.4590                 0.4357                 1.8170
 RamAct Fr= 1--      0.9301                 4.7708                 4.0813
  Dep-P Fr= 1--      0.7492                 0.7452                 0.7500
  Dep-U Fr= 1--      0.8567                 0.8540                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.1328                 0.6791                 0.5830
 AlphaG Fr= 1--      0.0000                 0.0060                 0.0000
 Gamma2 Fr= 1--     -0.6536                 1.3092                -0.6331
 Delta2 Fr= 1--     -0.0659                 0.0694                 0.2076
 Raman1 Fr= 1--       3.721                 19.083                 16.325
 ROA1   Fr= 1--     -64.856                127.901                -54.134
 CID1   Fr= 1--     -17.432                  6.702                 -3.316
 Raman2 Fr= 1--       1.594                  8.149                  6.996
 ROA2   Fr= 1--     -15.160                 30.864                -16.854
 CID2   Fr= 1--      -9.513                  3.788                 -2.409
 Raman3 Fr= 1--       3.187                 16.297                 13.993
 ROA3   Fr= 1--     -64.856                127.901                -54.134
 CID3   Fr= 1--     -20.349                  7.848                 -3.869
 RC180  Fr= 1--       0.713                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.04     0.08   0.04   0.07    -0.09  -0.04  -0.05
     2   6     0.05   0.03  -0.04    -0.09  -0.06   0.06     0.05   0.03  -0.05
     3   7     0.05   0.09  -0.05    -0.10  -0.15   0.09     0.06   0.09  -0.04
     4  45    -0.02  -0.00   0.10    -0.00   0.07   0.00     0.08   0.00   0.04
     5   7     0.04  -0.07  -0.04     0.09  -0.15  -0.08     0.07  -0.12  -0.06
     6   6     0.04  -0.03  -0.03     0.08  -0.07  -0.06     0.06  -0.04  -0.06
     7   6    -0.03   0.01  -0.03    -0.07   0.04  -0.06    -0.10   0.05  -0.06
     8   7    -0.08  -0.01  -0.04    -0.14   0.01  -0.06    -0.18   0.01  -0.10
     9   7    -0.09   0.01  -0.05     0.15   0.00   0.07    -0.16  -0.01  -0.09
    10   7     0.06   0.18  -0.12    -0.02  -0.00   0.00    -0.06  -0.12   0.10
    11   6     0.08   0.12  -0.04     0.01  -0.01   0.00    -0.04  -0.07   0.02
    12   1    -0.05   0.06   0.02    -0.11   0.06   0.06    -0.15   0.10   0.08
    13   1    -0.02   0.00  -0.04    -0.10   0.02  -0.11    -0.13   0.04  -0.11
    14   1     0.08  -0.03   0.03     0.13  -0.09   0.08     0.11  -0.07   0.06
    15   1     0.03  -0.03  -0.04     0.09  -0.11  -0.11     0.07  -0.07  -0.10
    16   1     0.10   0.03   0.04    -0.14  -0.09  -0.09     0.09   0.05   0.05
    17   1     0.04   0.04  -0.05    -0.10  -0.11   0.12     0.06   0.05  -0.09
    18   1    -0.06  -0.07   0.03     0.13   0.07  -0.06    -0.14  -0.08   0.07
    19   1    -0.03  -0.00  -0.05     0.11   0.02   0.12    -0.12  -0.03  -0.10
    20   1    -0.15  -0.01  -0.12     0.13   0.03  -0.14    -0.19  -0.04  -0.02
    21   1    -0.01  -0.02  -0.03     0.27  -0.14   0.09    -0.23   0.04  -0.10
    22   1     0.11   0.12  -0.14    -0.11  -0.13  -0.10     0.06   0.08   0.05
    23   1     0.05  -0.00  -0.04    -0.07  -0.33   0.11    -0.01   0.15  -0.05
    24   1     0.09  -0.11  -0.15     0.11  -0.13   0.08     0.08  -0.10   0.06
    25   1     0.04   0.03  -0.02     0.06  -0.31  -0.11    -0.00  -0.20  -0.07
    26   1    -0.14   0.02  -0.14    -0.11   0.03   0.13    -0.20   0.05  -0.00
    27   1     0.02   0.03  -0.02    -0.24  -0.12  -0.08    -0.27  -0.05  -0.11
    28   6     0.07  -0.12  -0.04     0.00  -0.03  -0.01    -0.04   0.08   0.02
    29   7     0.05  -0.18  -0.12     0.03  -0.04  -0.02    -0.05   0.12   0.10
    30   1     0.01   0.22  -0.30    -0.02  -0.06   0.02    -0.08  -0.08   0.02
    31   1    -0.11   0.19  -0.02    -0.01  -0.00  -0.00    -0.14  -0.20   0.13
    32   1     0.13   0.15  -0.10     0.01  -0.02   0.01    -0.06  -0.07   0.04
    33   1    -0.08   0.20   0.03     0.02  -0.01   0.01     0.04  -0.14  -0.05
    34   1    -0.09  -0.19   0.03    -0.03  -0.04  -0.00     0.04   0.13  -0.05
    35   1     0.12  -0.15  -0.10     0.01  -0.04  -0.02    -0.06   0.07   0.04
    36   1    -0.00  -0.21  -0.30     0.03  -0.09  -0.05    -0.07   0.08   0.02
    37   1    -0.13  -0.18  -0.02     0.01  -0.04  -0.01    -0.13   0.20   0.13
                     19                     20                     21
                      A                      A                      A
 Frequencies --    460.5852               464.1120               503.6166
 Red. masses --      3.8719                 4.1367                 4.3001
 Frc consts  --      0.4839                 0.5250                 0.6426
 IR Inten    --      6.8792                 7.8452                 0.0002
 RamAct Fr= 1--      5.3153                 5.8588                50.6878
  Dep-P Fr= 1--      0.7500                 0.7351                 0.0027
  Dep-U Fr= 1--      0.8571                 0.8473                 0.0054
 Alpha2 Fr= 1--      0.0000                 0.0015                 1.1193
 Beta2  Fr= 1--      0.7593                 0.8274                 0.0459
 AlphaG Fr= 1--     -0.0000                 0.0233                -0.4639
 Gamma2 Fr= 1--      1.1747                 2.0219                -1.2567
 Delta2 Fr= 1--     -0.0686                -0.1614                 0.1022
 Raman1 Fr= 1--      21.261                 23.435                202.751
 ROA1   Fr= 1--     110.580                188.937               -117.374
 CID1   Fr= 1--       5.201                  8.062                 -0.579
 Raman2 Fr= 1--       9.112                  9.928                  0.550
 ROA2   Fr= 1--      28.742                 49.817                -30.979
 CID2   Fr= 1--       3.154                  5.018                -56.283
 Raman3 Fr= 1--      18.224                 19.857                  1.101
 ROA3   Fr= 1--     110.580                188.937               -117.374
 CID3   Fr= 1--       6.068                  9.515               -106.623
 RC180  Fr= 1--       0.714                  0.695                 -0.989
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.01   0.01  -0.01     0.00  -0.02   0.01
     2   6     0.02  -0.02   0.02     0.04   0.00  -0.01    -0.02   0.01  -0.00
     3   7    -0.03  -0.18   0.18     0.01  -0.03   0.07     0.02   0.14  -0.15
     4  45     0.03   0.00  -0.01    -0.00   0.03   0.00     0.00   0.00  -0.00
     5   7    -0.02   0.17   0.17    -0.01  -0.05  -0.09    -0.02   0.14   0.15
     6   6     0.01   0.02   0.02    -0.04   0.00   0.00     0.02   0.01   0.00
     7   6     0.02  -0.04   0.01     0.01   0.01   0.01    -0.00  -0.02  -0.01
     8   7    -0.10  -0.06  -0.15     0.12   0.04   0.13    -0.14  -0.05  -0.15
     9   7    -0.11   0.07  -0.16    -0.11   0.04  -0.11     0.14  -0.06   0.15
    10   7     0.01   0.02   0.01    -0.15  -0.10   0.21    -0.09  -0.08   0.15
    11   6     0.02   0.04  -0.01     0.00   0.02   0.04     0.00   0.01   0.02
    12   1    -0.01   0.08   0.07     0.04  -0.08  -0.07    -0.04   0.11   0.06
    13   1     0.05  -0.06   0.01    -0.00   0.04   0.03     0.03  -0.05  -0.02
    14   1    -0.11   0.01  -0.10     0.03   0.02   0.04    -0.11  -0.03  -0.07
    15   1     0.04   0.02   0.05    -0.04   0.01   0.00     0.06  -0.02   0.00
    16   1    -0.12   0.00  -0.10    -0.01   0.02  -0.03     0.10  -0.03   0.07
    17   1     0.05  -0.02   0.05     0.04   0.01  -0.01    -0.06  -0.02  -0.00
    18   1    -0.02  -0.09   0.07    -0.05  -0.07   0.06     0.04   0.10  -0.06
    19   1     0.05   0.06   0.00     0.00   0.03  -0.03    -0.04  -0.05   0.02
    20   1    -0.14   0.06  -0.26    -0.15   0.03  -0.16     0.15  -0.06   0.20
    21   1    -0.13  -0.06  -0.17    -0.10  -0.02  -0.11     0.12   0.02   0.14
    22   1    -0.08  -0.21   0.30     0.01  -0.04   0.11     0.03   0.15  -0.19
    23   1    -0.12  -0.09   0.17    -0.05  -0.02   0.07     0.10   0.09  -0.15
    24   1    -0.07   0.21   0.28    -0.00  -0.06  -0.15    -0.02   0.15   0.20
    25   1    -0.11   0.09   0.16     0.07  -0.03  -0.09    -0.09   0.10   0.15
    26   1    -0.13  -0.05  -0.25     0.16   0.03   0.19    -0.15  -0.05  -0.20
    27   1    -0.11   0.07  -0.15     0.12  -0.04   0.13    -0.12   0.03  -0.15
    28   6     0.02  -0.03  -0.01    -0.01   0.03  -0.04    -0.00   0.01  -0.02
    29   7     0.02  -0.03  -0.01     0.14  -0.11  -0.21     0.09  -0.09  -0.15
    30   1    -0.01   0.03  -0.08    -0.19  -0.20   0.12    -0.13  -0.10   0.03
    31   1    -0.07  -0.00   0.05    -0.22  -0.14   0.25    -0.18  -0.10   0.20
    32   1     0.05   0.09  -0.04    -0.01   0.06   0.05    -0.00   0.06   0.02
    33   1    -0.04   0.02  -0.04     0.07  -0.10  -0.11     0.03  -0.08  -0.09
    34   1    -0.05  -0.03  -0.03    -0.07  -0.09   0.11    -0.03  -0.08   0.09
    35   1     0.05  -0.08  -0.04     0.01   0.07  -0.05     0.00   0.06  -0.02
    36   1     0.00  -0.05  -0.09     0.18  -0.20  -0.11     0.13  -0.10  -0.03
    37   1    -0.05  -0.01   0.03     0.23  -0.15  -0.26     0.17  -0.11  -0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --    534.0340               543.7142               558.9321
 Red. masses --      1.6472                 1.7309                 1.8293
 Frc consts  --      0.2768                 0.3015                 0.3367
 IR Inten    --      2.3516                 2.1009                 3.5653
 RamAct Fr= 1--      0.1466                 0.3562                 0.3398
  Dep-P Fr= 1--      0.7498                 0.7495                 0.6486
  Dep-U Fr= 1--      0.8570                 0.8568                 0.7869
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0006
 Beta2  Fr= 1--      0.0209                 0.0509                 0.0446
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0059
 Gamma2 Fr= 1--     -0.2100                 0.6012                -0.7513
 Delta2 Fr= 1--     -0.0364                 0.3630                -0.1706
 Raman1 Fr= 1--       0.587                  1.425                  1.359
 ROA1   Fr= 1--     -21.323                 69.330                -77.587
 CID1   Fr= 1--     -36.352                 48.658                -57.079
 Raman2 Fr= 1--       0.251                  0.610                  0.535
 ROA2   Fr= 1--      -4.748                 11.524                -16.666
 CID2   Fr= 1--     -18.891                 18.880                -31.164
 Raman3 Fr= 1--       0.503                  1.221                  1.070
 ROA3   Fr= 1--     -21.323                 69.330                -77.587
 CID3   Fr= 1--     -42.419                 56.790                -72.540
 RC180  Fr= 1--       0.714                  0.714                  0.574
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.06    -0.00  -0.00   0.00     0.05   0.04   0.06
     2   6     0.06   0.03  -0.06     0.00   0.00  -0.00    -0.05  -0.02   0.06
     3   7     0.03  -0.05   0.05     0.00   0.00  -0.01    -0.02   0.06  -0.07
     4  45    -0.01  -0.00  -0.00    -0.01  -0.00  -0.02    -0.00  -0.03   0.00
     5   7     0.03   0.05   0.06     0.00  -0.00  -0.01     0.02   0.05   0.07
     6   6     0.06  -0.03  -0.06     0.00  -0.00  -0.00     0.05  -0.02  -0.06
     7   6    -0.05   0.03  -0.06    -0.00   0.00  -0.00    -0.05   0.04  -0.06
     8   7     0.02   0.04   0.05     0.02   0.01   0.02     0.04   0.05   0.07
     9   7     0.02  -0.04   0.04     0.02  -0.01   0.02    -0.04   0.05  -0.07
    10   7     0.00   0.02  -0.02    -0.05  -0.00   0.10     0.00   0.01  -0.00
    11   6     0.00   0.00   0.00     0.08   0.08  -0.02    -0.00   0.00   0.00
    12   1    -0.10  -0.15   0.09     0.00  -0.04   0.00    -0.09  -0.18   0.09
    13   1    -0.23   0.05  -0.19    -0.02   0.01  -0.01    -0.25   0.07  -0.20
    14   1    -0.10  -0.16   0.09    -0.01  -0.02   0.02    -0.13  -0.16   0.10
    15   1     0.17  -0.19  -0.18     0.02  -0.02  -0.02     0.16  -0.20  -0.20
    16   1    -0.09   0.15   0.08    -0.01   0.02   0.02     0.12  -0.17  -0.10
    17   1     0.17   0.17  -0.17     0.02   0.02  -0.01    -0.18  -0.20   0.21
    18   1    -0.09   0.15   0.09     0.00   0.03  -0.00     0.09  -0.19  -0.10
    19   1    -0.22  -0.04  -0.19    -0.02  -0.01  -0.01     0.26   0.06   0.21
    20   1     0.06  -0.05   0.25     0.02  -0.01   0.05    -0.04   0.08  -0.21
    21   1    -0.06   0.15   0.03    -0.00   0.02   0.02    -0.01  -0.11  -0.06
    22   1     0.01  -0.08   0.24    -0.02  -0.02   0.09    -0.03   0.07  -0.22
    23   1    -0.09   0.11   0.03     0.01   0.11  -0.03     0.11  -0.07  -0.05
    24   1     0.02   0.09   0.25    -0.01   0.02   0.10     0.03   0.07   0.21
    25   1    -0.10  -0.11   0.04    -0.00  -0.11  -0.03    -0.11  -0.06   0.05
    26   1     0.06   0.05   0.25     0.03   0.01   0.06     0.04   0.07   0.20
    27   1    -0.07  -0.15   0.03    -0.00  -0.02   0.02     0.01  -0.11   0.06
    28   6     0.00  -0.00   0.00     0.08  -0.08  -0.02    -0.00   0.00   0.00
    29   7     0.00  -0.02  -0.02    -0.05   0.00   0.10    -0.00   0.01   0.00
    30   1     0.02  -0.03   0.07    -0.13  -0.06  -0.15    -0.01   0.03  -0.05
    31   1     0.09   0.04  -0.07    -0.26  -0.01   0.22    -0.04  -0.00   0.02
    32   1    -0.01  -0.03   0.01     0.22   0.33  -0.19    -0.00   0.00   0.00
    33   1     0.02   0.02   0.03    -0.21  -0.01  -0.21    -0.00   0.00   0.00
    34   1     0.02  -0.02   0.03    -0.21   0.02  -0.21     0.01   0.00  -0.00
    35   1    -0.00   0.03   0.01     0.21  -0.34  -0.19    -0.00   0.01   0.00
    36   1     0.03   0.03   0.07    -0.13   0.07  -0.14     0.01   0.03   0.05
    37   1     0.09  -0.05  -0.07    -0.26   0.03   0.22     0.04  -0.00  -0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    680.5897               686.1545               714.9917
 Red. masses --      1.3007                 1.3081                 1.2854
 Frc consts  --      0.3550                 0.3629                 0.3871
 IR Inten    --      1.8806                 0.8007                 1.2751
 RamAct Fr= 1--      1.8776                 0.0677                 0.9689
  Dep-P Fr= 1--      0.0173                 0.7352                 0.5799
  Dep-U Fr= 1--      0.0340                 0.8474                 0.7341
 Alpha2 Fr= 1--      0.0401                 0.0000                 0.0031
 Beta2  Fr= 1--      0.0106                 0.0096                 0.1185
 AlphaG Fr= 1--      0.0145                -0.0001                 0.0991
 Gamma2 Fr= 1--      0.7978                 0.8764                -3.1439
 Delta2 Fr= 1--     -0.0877                -0.0423                 0.0072
 Raman1 Fr= 1--       7.510                  0.271                  3.876
 ROA1   Fr= 1--      73.786                 82.783               -301.589
 CID1   Fr= 1--       9.825                305.856                -77.817
 Raman2 Fr= 1--       0.128                  0.115                  1.423
 ROA2   Fr= 1--      19.849                 21.373                -75.512
 CID2   Fr= 1--     155.396                186.375                -53.082
 Raman3 Fr= 1--       0.255                  0.229                  2.845
 ROA3   Fr= 1--      73.786                 82.783               -301.589
 CID3   Fr= 1--     288.832                360.935               -106.003
 RC180  Fr= 1--      -0.932                  0.695                  0.468
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.01   0.00  -0.02    -0.01  -0.00   0.01
     2   6    -0.00   0.00  -0.02     0.02   0.01   0.00     0.00  -0.01  -0.01
     3   7     0.02   0.00  -0.02    -0.02   0.04   0.07     0.01  -0.03  -0.04
     4  45    -0.00  -0.01  -0.00    -0.00   0.00  -0.01     0.00   0.00   0.00
     5   7    -0.02   0.00   0.02    -0.02  -0.04   0.07    -0.01  -0.03   0.03
     6   6     0.00   0.00   0.02     0.01  -0.01   0.00    -0.00  -0.01   0.01
     7   6     0.01  -0.00   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   7     0.03   0.02  -0.06     0.02   0.03  -0.04     0.02   0.03  -0.04
     9   7    -0.03   0.02   0.05     0.02  -0.03  -0.04    -0.02   0.03   0.04
    10   7    -0.07   0.01  -0.02    -0.01  -0.01   0.01     0.06  -0.01   0.02
    11   6    -0.01   0.01   0.00     0.01   0.01   0.01     0.01  -0.02  -0.00
    12   1     0.00  -0.06   0.05    -0.02  -0.07   0.06    -0.01  -0.05   0.03
    13   1    -0.06   0.04   0.00    -0.09   0.03  -0.06    -0.06   0.04  -0.01
    14   1     0.01   0.02  -0.03     0.06   0.03  -0.05     0.06   0.04  -0.04
    15   1    -0.03   0.03   0.04    -0.07   0.05   0.00    -0.08   0.06   0.04
    16   1    -0.01   0.02   0.03     0.06  -0.04  -0.05    -0.05   0.04   0.04
    17   1     0.02   0.03  -0.04    -0.07  -0.05   0.00     0.08   0.06  -0.04
    18   1    -0.00  -0.06  -0.04    -0.01   0.08   0.06     0.01  -0.05  -0.03
    19   1     0.06   0.03  -0.00    -0.09  -0.03  -0.06     0.07   0.04   0.01
    20   1    -0.11   0.03  -0.28     0.08  -0.04   0.24    -0.08   0.04  -0.24
    21   1     0.28  -0.16   0.11    -0.21   0.15  -0.09     0.21  -0.16   0.09
    22   1     0.00  -0.01   0.06     0.05   0.13  -0.35    -0.00  -0.07   0.22
    23   1    -0.03   0.07  -0.03    -0.01  -0.38   0.14    -0.03   0.23  -0.08
    24   1     0.00  -0.02  -0.09     0.04  -0.13  -0.35    -0.00  -0.07  -0.21
    25   1     0.03   0.09   0.03     0.01   0.39   0.14     0.04   0.22   0.08
    26   1     0.12   0.03   0.30     0.08   0.03   0.22     0.08   0.03   0.24
    27   1    -0.30  -0.15  -0.11    -0.20  -0.14  -0.08    -0.21  -0.15  -0.09
    28   6     0.01   0.01  -0.00     0.01  -0.01   0.01    -0.01  -0.02   0.00
    29   7     0.07   0.01   0.02    -0.01   0.01   0.01    -0.06  -0.00  -0.02
    30   1     0.00  -0.14   0.32    -0.01   0.00  -0.01    -0.00   0.13  -0.29
    31   1     0.25   0.09  -0.19    -0.02   0.02   0.02    -0.23  -0.05   0.18
    32   1    -0.02  -0.09   0.02     0.04   0.05  -0.03     0.03   0.09  -0.02
    33   1     0.07   0.03   0.04    -0.05  -0.01  -0.03    -0.08  -0.03  -0.04
    34   1    -0.07   0.03  -0.04    -0.05   0.01  -0.02     0.08  -0.03   0.04
    35   1     0.02  -0.10  -0.02     0.04  -0.05  -0.03    -0.02   0.09   0.02
    36   1    -0.01  -0.14  -0.32    -0.01   0.01   0.01     0.01   0.13   0.29
    37   1    -0.24   0.09   0.19    -0.00  -0.02   0.00     0.23  -0.06  -0.18
                     28                     29                     30
                      A                      A                      A
 Frequencies --    742.5321               745.3809               767.8988
 Red. masses --      1.4607                 1.3937                 1.4360
 Frc consts  --      0.4745                 0.4562                 0.4989
 IR Inten    --      9.6791                 2.4171                16.6214
 RamAct Fr= 1--      0.0885                 1.1113                 0.6610
  Dep-P Fr= 1--      0.7494                 0.5082                 0.7499
  Dep-U Fr= 1--      0.8567                 0.6739                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0053                 0.0000
 Beta2  Fr= 1--      0.0126                 0.1248                 0.0944
 AlphaG Fr= 1--      0.0000                 0.0079                -0.0000
 Gamma2 Fr= 1--     -0.6581                 2.9073                 1.0253
 Delta2 Fr= 1--     -0.0041                 0.1224                 0.0113
 Raman1 Fr= 1--       0.354                  4.445                  2.644
 ROA1   Fr= 1--     -63.307                283.016                 98.788
 CID1   Fr= 1--    -178.825                 63.670                 37.361
 Raman2 Fr= 1--       0.152                  1.498                  1.133
 ROA2   Fr= 1--     -15.762                 68.795                 24.517
 CID2   Fr= 1--    -103.938                 45.931                 21.637
 Raman3 Fr= 1--       0.303                  2.996                  2.266
 ROA3   Fr= 1--     -63.307                283.016                 98.788
 CID3   Fr= 1--    -208.731                 94.478                 43.592
 RC180  Fr= 1--       0.713                  0.348                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02   0.01     0.01   0.01   0.03    -0.02  -0.02  -0.02
     2   6    -0.03   0.01   0.02    -0.03  -0.01   0.02     0.01  -0.01  -0.02
     3   7     0.01  -0.01  -0.03     0.00  -0.06  -0.07    -0.00   0.02   0.04
     4  45     0.01  -0.00   0.02     0.00   0.01   0.00     0.02  -0.00  -0.01
     5   7     0.01   0.01  -0.04    -0.00  -0.06   0.07    -0.00  -0.02   0.04
     6   6    -0.03  -0.01   0.02     0.02  -0.01  -0.02     0.01   0.01  -0.02
     7   6     0.00  -0.02   0.01    -0.01   0.01  -0.03    -0.02   0.02  -0.02
     8   7     0.01   0.02  -0.05    -0.03  -0.01   0.04    -0.04  -0.03   0.06
     9   7     0.00  -0.02  -0.05     0.03  -0.01  -0.04    -0.04   0.03   0.06
    10   7    -0.08   0.03  -0.01    -0.03   0.00  -0.01    -0.06  -0.00  -0.01
    11   6     0.04   0.02  -0.01    -0.01  -0.00  -0.00     0.03   0.02   0.02
    12   1     0.02   0.04  -0.06    -0.03  -0.01   0.05    -0.03   0.03   0.01
    13   1     0.06   0.01   0.12    -0.05  -0.01  -0.12    -0.00  -0.03  -0.09
    14   1     0.04   0.05  -0.07     0.05  -0.01   0.01    -0.01  -0.03   0.06
    15   1    -0.05   0.07   0.12    -0.04  -0.01  -0.10     0.02  -0.05  -0.12
    16   1     0.04  -0.05  -0.07    -0.05  -0.00  -0.01    -0.01   0.03   0.06
    17   1    -0.05  -0.07   0.11     0.03  -0.01   0.10     0.02   0.05  -0.12
    18   1     0.02  -0.04  -0.06     0.03  -0.02  -0.05    -0.03  -0.03   0.01
    19   1     0.05  -0.01   0.11     0.05  -0.01   0.12     0.00   0.03  -0.10
    20   1     0.09  -0.00   0.17     0.09  -0.00   0.17    -0.12   0.04  -0.28
    21   1    -0.17   0.09  -0.08    -0.21   0.08  -0.08     0.29  -0.16   0.12
    22   1    -0.05  -0.05   0.10    -0.04  -0.13   0.34     0.04   0.07  -0.15
    23   1     0.03   0.12  -0.05     0.03   0.41  -0.15    -0.03  -0.18   0.08
    24   1    -0.05   0.06   0.11     0.04  -0.13  -0.34     0.04  -0.07  -0.14
    25   1     0.02  -0.14  -0.06    -0.01   0.40   0.15    -0.02   0.18   0.07
    26   1     0.09  -0.00   0.17    -0.09  -0.00  -0.17    -0.12  -0.04  -0.28
    27   1    -0.18  -0.08  -0.09     0.21   0.08   0.08     0.29   0.15   0.12
    28   6     0.04  -0.02  -0.01     0.01  -0.01   0.00     0.02  -0.02   0.02
    29   7    -0.08  -0.03  -0.01     0.03  -0.00   0.00    -0.06   0.01  -0.01
    30   1    -0.02  -0.22   0.35     0.00  -0.05   0.13    -0.02  -0.15   0.23
    31   1     0.26   0.11  -0.20     0.09   0.02  -0.08     0.18   0.10  -0.14
    32   1     0.11   0.00  -0.09    -0.01  -0.05   0.00     0.12   0.05  -0.09
    33   1    -0.03   0.04   0.00     0.02   0.01   0.02    -0.08   0.00  -0.02
    34   1    -0.03  -0.04   0.00    -0.03   0.01  -0.02    -0.08  -0.00  -0.02
    35   1     0.11  -0.01  -0.09     0.01  -0.05  -0.01     0.12  -0.06  -0.09
    36   1    -0.01   0.22   0.35    -0.00  -0.04  -0.12    -0.01   0.15   0.23
    37   1     0.25  -0.12  -0.20    -0.08   0.01   0.07     0.18  -0.11  -0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    866.2363               866.3049               867.6155
 Red. masses --      3.2179                 3.1894                 3.1366
 Frc consts  --      1.4226                 1.4103                 1.3911
 IR Inten    --     10.3393                10.1638                 0.0085
 RamAct Fr= 1--      1.0075                 0.7967                 8.4176
  Dep-P Fr= 1--      0.7419                 0.7445                 0.0692
  Dep-U Fr= 1--      0.8518                 0.8536                 0.1295
 Alpha2 Fr= 1--      0.0001                 0.0001                 0.1588
 Beta2  Fr= 1--      0.1430                 0.1133                 0.1817
 AlphaG Fr= 1--     -0.0005                 0.0011                -0.0530
 Gamma2 Fr= 1--      0.6428                 0.9602                -2.6055
 Delta2 Fr= 1--      0.7531                 0.9469                -2.5673
 Raman1 Fr= 1--       4.030                  3.187                 33.671
 ROA1   Fr= 1--      85.809                122.480               -332.276
 CID1   Fr= 1--      21.292                 38.436                 -9.868
 Raman2 Fr= 1--       1.716                  1.360                  2.180
 ROA2   Fr= 1--       9.402                 15.469                -41.993
 CID2   Fr= 1--       5.478                 11.374                -19.260
 Raman3 Fr= 1--       3.433                  2.720                  4.361
 ROA3   Fr= 1--      85.809                122.480               -332.276
 CID3   Fr= 1--      24.995                 45.029                -76.200
 RC180  Fr= 1--       0.704                  0.707                 -0.741
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.08   0.08     0.08   0.07   0.09     0.10   0.05   0.10
     2   6     0.09   0.05  -0.09     0.10   0.05  -0.09     0.12   0.03  -0.08
     3   7    -0.08  -0.01  -0.03    -0.08  -0.01  -0.04    -0.12   0.00  -0.05
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.12   0.01  -0.05     0.03  -0.00   0.02     0.13  -0.00   0.05
     6   6     0.14  -0.07  -0.13    -0.03   0.02   0.03    -0.12   0.02   0.06
     7   6     0.11  -0.11   0.12    -0.03   0.02  -0.03    -0.10   0.04  -0.10
     8   7    -0.07   0.13   0.06     0.01  -0.03  -0.01     0.04  -0.04  -0.02
     9   7    -0.06  -0.09   0.05    -0.05  -0.09   0.04    -0.05  -0.06   0.03
    10   7    -0.00   0.01   0.00     0.03  -0.12  -0.08    -0.02   0.08   0.04
    11   6    -0.04  -0.04   0.03     0.13   0.15  -0.01    -0.09  -0.10   0.02
    12   1     0.03  -0.06   0.34    -0.01   0.02  -0.09    -0.01   0.10  -0.38
    13   1    -0.03  -0.05   0.08     0.01   0.01  -0.02     0.10   0.01   0.04
    14   1     0.10   0.01  -0.42    -0.02   0.00   0.09    -0.04   0.02   0.17
    15   1     0.01   0.08  -0.03    -0.00  -0.02   0.01    -0.04  -0.01   0.10
    16   1     0.07  -0.01  -0.30     0.07  -0.01  -0.30     0.06   0.01  -0.23
    17   1    -0.00  -0.06  -0.02     0.00  -0.06  -0.02     0.03  -0.03  -0.08
    18   1     0.03   0.04   0.22     0.03   0.04   0.24     0.02   0.09   0.36
    19   1    -0.01   0.04   0.06    -0.02   0.03   0.06    -0.08   0.02  -0.01
    20   1    -0.05  -0.07  -0.02    -0.04  -0.07   0.00    -0.07  -0.06  -0.01
    21   1    -0.08  -0.18   0.05    -0.10  -0.17   0.03    -0.11  -0.15   0.02
    22   1    -0.08  -0.01   0.01    -0.09  -0.02   0.03    -0.10   0.01  -0.03
    23   1    -0.18  -0.01  -0.03    -0.19   0.02  -0.04    -0.20  -0.01  -0.04
    24   1    -0.12   0.02   0.02     0.03  -0.01  -0.02     0.09   0.01   0.03
    25   1    -0.26   0.01  -0.05     0.06   0.02   0.02     0.19  -0.01   0.05
    26   1    -0.06   0.10  -0.02     0.01  -0.02  -0.01     0.06  -0.06   0.01
    27   1    -0.12   0.26   0.06     0.04  -0.05  -0.00     0.11  -0.13  -0.01
    28   6     0.03  -0.04   0.02    -0.12   0.16   0.03     0.08  -0.10  -0.01
    29   7     0.01   0.05  -0.04    -0.03  -0.11   0.07     0.03   0.08  -0.05
    30   1     0.01   0.06   0.02    -0.00  -0.25  -0.14     0.01   0.17   0.11
    31   1     0.01   0.03  -0.00    -0.02  -0.11  -0.06     0.03   0.05   0.01
    32   1     0.02   0.04  -0.03     0.08  -0.02   0.04    -0.05  -0.00  -0.03
    33   1    -0.17  -0.02   0.02     0.37   0.07  -0.08    -0.25  -0.04   0.06
    34   1     0.04  -0.02  -0.02    -0.41   0.09   0.08     0.22  -0.04  -0.06
    35   1     0.05  -0.03  -0.01    -0.06  -0.04  -0.05     0.06  -0.02   0.02
    36   1     0.01   0.07  -0.05    -0.00  -0.25   0.13     0.00   0.16  -0.13
    37   1     0.01   0.03  -0.03     0.02  -0.11   0.04    -0.03   0.05  -0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --    868.9118               872.6305               874.0421
 Red. masses --      2.5441                 2.4747                 2.5530
 Frc consts  --      1.1317                 1.1103                 1.1491
 IR Inten    --      2.0569                 0.0609                 3.0438
 RamAct Fr= 1--      2.2077                 3.2885                 0.5198
  Dep-P Fr= 1--      0.7311                 0.6402                 0.7472
  Dep-U Fr= 1--      0.8447                 0.7806                 0.8553
 Alpha2 Fr= 1--      0.0007                 0.0065                 0.0000
 Beta2  Fr= 1--      0.3108                 0.4278                 0.0741
 AlphaG Fr= 1--     -0.0002                 0.0023                 0.0000
 Gamma2 Fr= 1--      0.5475                -1.1765                 0.7894
 Delta2 Fr= 1--     -0.2971                -0.6776                 0.1230
 Raman1 Fr= 1--       8.831                 13.154                  2.079
 ROA1   Fr= 1--      43.052               -134.626                 79.715
 CID1   Fr= 1--       4.875                -10.235                 38.337
 Raman2 Fr= 1--       3.730                  5.134                  0.889
 ROA2   Fr= 1--      15.517                -22.816                 17.961
 CID2   Fr= 1--       4.160                 -4.444                 20.198
 Raman3 Fr= 1--       7.459                 10.268                  1.778
 ROA3   Fr= 1--      43.052               -134.626                 79.715
 CID3   Fr= 1--       5.772                -13.111                 44.822
 RC180  Fr= 1--       0.689                  0.561                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06  -0.07     0.03  -0.10   0.04     0.02  -0.06   0.03
     2   6    -0.07   0.06  -0.03     0.04  -0.09   0.07     0.02  -0.05   0.04
     3   7     0.12  -0.02   0.05    -0.10   0.02  -0.04    -0.06   0.00  -0.05
     4  45    -0.01  -0.00  -0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.01
     5   7     0.12   0.01   0.05     0.09   0.02   0.05    -0.04   0.00  -0.04
     6   6    -0.06  -0.07  -0.04    -0.04  -0.09  -0.07     0.02   0.04   0.03
     7   6    -0.05  -0.07  -0.06    -0.03  -0.10  -0.04     0.01   0.04   0.03
     8   7    -0.03   0.09   0.05    -0.04   0.13   0.05     0.03  -0.04  -0.04
     9   7    -0.03  -0.07   0.04     0.05   0.12  -0.05     0.04   0.07  -0.05
    10   7     0.03  -0.08  -0.06    -0.01  -0.00  -0.00     0.02  -0.11  -0.11
    11   6    -0.01   0.01   0.08     0.02   0.03  -0.02    -0.02   0.01   0.14
    12   1     0.03   0.12  -0.33     0.03   0.09  -0.25    -0.01  -0.04   0.11
    13   1     0.17  -0.05   0.19     0.14  -0.03   0.22    -0.06   0.03  -0.05
    14   1     0.07   0.06  -0.25     0.12   0.08  -0.38    -0.05  -0.03   0.14
    15   1    -0.09   0.11   0.19    -0.12   0.15   0.21     0.07  -0.05  -0.05
    16   1     0.05  -0.05  -0.18    -0.11   0.08   0.37    -0.07   0.04   0.21
    17   1    -0.09  -0.09   0.18     0.13   0.14  -0.22     0.09   0.08  -0.09
    18   1     0.02  -0.12  -0.34    -0.03   0.09   0.26    -0.01   0.06   0.16
    19   1     0.16   0.04   0.17    -0.14  -0.02  -0.23    -0.09  -0.03  -0.09
    20   1     0.04  -0.01   0.02    -0.03   0.08  -0.09    -0.00   0.03   0.02
    21   1     0.07  -0.03   0.06     0.01   0.07  -0.05    -0.06   0.09  -0.07
    22   1     0.04  -0.05   0.06     0.01   0.07  -0.07    -0.00   0.01   0.03
    23   1     0.08  -0.04   0.06    -0.01   0.04  -0.05    -0.03   0.11  -0.07
    24   1     0.04   0.06   0.06    -0.01   0.07   0.06    -0.00  -0.00   0.04
    25   1     0.06   0.05   0.06     0.01   0.06   0.06    -0.03  -0.09  -0.06
    26   1     0.04   0.03   0.03     0.03   0.08   0.08     0.00  -0.01   0.03
    27   1     0.06   0.06   0.07     0.00   0.08   0.06    -0.07  -0.07  -0.06
    28   6    -0.02   0.01   0.08    -0.01   0.03  -0.01    -0.02  -0.01   0.14
    29   7     0.04   0.07  -0.05    -0.00  -0.03   0.03     0.03   0.11  -0.11
    30   1     0.03   0.03  -0.14    -0.00  -0.04   0.02     0.04  -0.02  -0.10
    31   1    -0.02   0.00  -0.02     0.01  -0.03  -0.02     0.04   0.00  -0.11
    32   1     0.11   0.13  -0.06    -0.02  -0.06   0.03     0.24   0.19  -0.15
    33   1    -0.22  -0.04  -0.01     0.13   0.03  -0.00    -0.41  -0.03   0.01
    34   1    -0.24   0.05  -0.01    -0.03   0.02   0.00    -0.42   0.05   0.01
    35   1     0.10  -0.13  -0.07    -0.03  -0.01   0.01     0.23  -0.21  -0.16
    36   1     0.03  -0.05  -0.13    -0.01  -0.04   0.01     0.04   0.01  -0.10
    37   1    -0.02  -0.01  -0.01    -0.02  -0.03   0.04     0.04  -0.01  -0.11
                     37                     38                     39
                      A                      A                      A
 Frequencies --    981.7040               983.0581               983.4969
 Red. masses --      2.1966                 2.2119                 2.2060
 Frc consts  --      1.2473                 1.2594                 1.2572
 IR Inten    --      6.4901                 1.4707                 1.9450
 RamAct Fr= 1--      1.4473                 3.3364                 5.5326
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7476
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0002
 Beta2  Fr= 1--      0.2068                 0.4766                 0.7889
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0016
 Gamma2 Fr= 1--      0.4193                -0.1715                 0.1955
 Delta2 Fr= 1--     -0.6155                 0.0199                 1.0577
 Raman1 Fr= 1--       5.789                 13.346                 22.131
 ROA1   Fr= 1--      20.556                -15.823                 52.619
 CID1   Fr= 1--       3.551                 -1.186                  2.378
 Raman2 Fr= 1--       2.481                  5.719                  9.467
 ROA2   Fr= 1--      14.987                 -4.275                 -3.769
 CID2   Fr= 1--       6.040                 -0.747                 -0.398
 Raman3 Fr= 1--       4.962                 11.439                 18.935
 ROA3   Fr= 1--      20.556                -15.823                 52.619
 CID3   Fr= 1--       4.143                 -1.383                  2.779
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.04  -0.00    -0.11  -0.07  -0.00     0.12   0.08   0.01
     2   6     0.06   0.03   0.00     0.12   0.06  -0.00    -0.13  -0.07  -0.01
     3   7    -0.03  -0.01  -0.00    -0.06  -0.02  -0.00     0.07   0.02   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.01  -0.00    -0.06   0.02  -0.00    -0.07   0.02  -0.01
     6   6     0.06  -0.03   0.00     0.11  -0.06  -0.00     0.13  -0.08   0.01
     7   6    -0.06   0.04  -0.00    -0.11   0.07   0.00    -0.12   0.08  -0.01
     8   7     0.02  -0.02   0.00     0.04  -0.04  -0.00     0.05  -0.05  -0.00
     9   7     0.02   0.02   0.00     0.04   0.04  -0.00    -0.05  -0.05   0.00
    10   7    -0.00  -0.08  -0.02     0.00   0.04   0.01    -0.00  -0.00   0.00
    11   6     0.01   0.18   0.00    -0.00  -0.10  -0.00    -0.01   0.01  -0.01
    12   1    -0.04   0.14  -0.05    -0.09   0.27  -0.09    -0.10   0.28  -0.09
    13   1     0.06   0.02   0.08     0.12   0.04   0.17     0.10   0.07   0.18
    14   1     0.14   0.02  -0.04     0.26   0.03  -0.08     0.33   0.05  -0.10
    15   1    -0.00   0.06   0.08     0.00   0.12   0.16    -0.02   0.15   0.19
    16   1     0.15  -0.03  -0.04     0.27  -0.05  -0.09    -0.32   0.06   0.10
    17   1    -0.01  -0.06   0.08    -0.01  -0.12   0.16     0.03   0.14  -0.19
    18   1    -0.05  -0.14  -0.05    -0.10  -0.27  -0.09     0.11   0.27   0.08
    19   1     0.06  -0.02   0.08     0.11  -0.05   0.17    -0.09   0.07  -0.17
    20   1     0.06   0.05   0.01     0.11   0.08   0.03    -0.09  -0.07  -0.04
    21   1     0.07   0.06   0.01     0.14   0.11   0.01    -0.16  -0.15  -0.01
    22   1    -0.07  -0.02   0.00    -0.11  -0.04   0.03     0.16   0.06  -0.04
    23   1    -0.09  -0.04   0.01    -0.17  -0.05   0.01     0.16   0.04  -0.00
    24   1    -0.06   0.02   0.00    -0.10   0.04   0.02    -0.16   0.07   0.04
    25   1    -0.08   0.04   0.01    -0.17   0.06   0.01    -0.17   0.05   0.00
    26   1     0.05  -0.05   0.01     0.10  -0.09   0.02     0.09  -0.08   0.04
    27   1     0.06  -0.06   0.01     0.13  -0.11   0.01     0.15  -0.16   0.01
    28   6    -0.00  -0.18   0.00    -0.00   0.09  -0.00     0.01   0.00   0.01
    29   7    -0.00   0.08  -0.02     0.00  -0.04   0.01     0.00  -0.00  -0.00
    30   1    -0.04  -0.26  -0.05     0.02   0.13   0.01     0.01   0.04   0.01
    31   1    -0.05  -0.15  -0.01     0.02   0.10   0.01    -0.00  -0.06  -0.00
    32   1    -0.18  -0.09   0.22     0.09   0.05  -0.11    -0.02  -0.06   0.00
    33   1     0.21   0.29   0.19    -0.10  -0.16  -0.11     0.04   0.02   0.02
    34   1     0.19  -0.30   0.19    -0.09   0.16  -0.11    -0.04   0.02  -0.02
    35   1    -0.18   0.09   0.22     0.08  -0.04  -0.11     0.02  -0.06  -0.00
    36   1    -0.03   0.26  -0.05     0.01  -0.14   0.01    -0.01   0.04  -0.01
    37   1    -0.04   0.15  -0.01     0.02  -0.09   0.01    -0.00  -0.06   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    998.5077              1000.8016              1008.6616
 Red. masses --      1.2447                 1.2587                 1.2682
 Frc consts  --      0.7312                 0.7428                 0.7602
 IR Inten    --     11.0218                 1.4117                 9.7873
 RamAct Fr= 1--      0.1842                 0.9445                 0.5238
  Dep-P Fr= 1--      0.7434                 0.0231                 0.3080
  Dep-U Fr= 1--      0.8528                 0.0451                 0.4709
 Alpha2 Fr= 1--      0.0000                 0.0199                 0.0052
 Beta2  Fr= 1--      0.0262                 0.0071                 0.0411
 AlphaG Fr= 1--     -0.0000                -0.0125                -0.1118
 Gamma2 Fr= 1--      1.1287                 0.5258                -1.0865
 Delta2 Fr= 1--      0.2014                 0.0217                 0.1746
 Raman1 Fr= 1--       0.737                  3.778                  2.095
 ROA1   Fr= 1--     114.803                 51.176                -98.718
 CID1   Fr= 1--     155.786                 13.546                -47.120
 Raman2 Fr= 1--       0.314                  0.085                  0.493
 ROA2   Fr= 1--      25.478                 12.446                -27.473
 CID2   Fr= 1--      81.082                146.054                -55.695
 Raman3 Fr= 1--       0.628                  0.170                  0.987
 ROA3   Fr= 1--     114.803                 51.176                -98.718
 CID3   Fr= 1--     182.673                300.266               -100.063
 RC180  Fr= 1--       0.706                 -0.910                 -0.058
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05   0.03     0.04  -0.02  -0.01    -0.04   0.04   0.03
     2   6     0.01  -0.06  -0.03    -0.02   0.02   0.02     0.01  -0.05  -0.03
     3   7    -0.01   0.01  -0.00     0.01  -0.01  -0.01    -0.01   0.01   0.00
     4  45    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.01  -0.00    -0.00  -0.01   0.01     0.01   0.01  -0.00
     6   6     0.01   0.06  -0.03     0.02   0.02  -0.02    -0.02  -0.05   0.03
     7   6    -0.05  -0.05   0.03    -0.04  -0.01   0.01     0.04   0.04  -0.03
     8   7     0.01   0.02  -0.00     0.01   0.00   0.01    -0.01  -0.02   0.00
     9   7     0.01  -0.01  -0.00    -0.01   0.00  -0.01     0.00  -0.02  -0.00
    10   7    -0.00   0.00   0.00    -0.01   0.00  -0.02    -0.01  -0.00  -0.01
    11   6     0.00   0.00  -0.00     0.07  -0.02   0.05     0.03  -0.01   0.04
    12   1     0.00   0.16  -0.13    -0.01   0.11  -0.09     0.00  -0.15   0.10
    13   1     0.21  -0.15   0.10     0.11  -0.07   0.06    -0.17   0.13  -0.09
    14   1    -0.17  -0.08   0.13    -0.04  -0.03   0.04     0.14   0.06  -0.10
    15   1     0.24  -0.13  -0.09     0.10  -0.04  -0.02    -0.19   0.10   0.08
    16   1    -0.16   0.08   0.12     0.04  -0.03  -0.05    -0.13   0.07   0.10
    17   1     0.23   0.11  -0.08    -0.12  -0.04   0.03     0.20   0.09  -0.08
    18   1    -0.00  -0.16  -0.12     0.01   0.12   0.10    -0.01  -0.16  -0.11
    19   1     0.20   0.13   0.10    -0.13  -0.07  -0.07     0.18   0.12   0.09
    20   1     0.23   0.14   0.03    -0.13  -0.08  -0.01     0.22   0.13   0.04
    21   1    -0.14  -0.12  -0.03     0.07   0.08   0.01    -0.12  -0.11  -0.02
    22   1     0.26   0.13  -0.02    -0.12  -0.06   0.01     0.21   0.11  -0.03
    23   1    -0.20  -0.03   0.01     0.13   0.05  -0.02    -0.17  -0.06   0.02
    24   1     0.26  -0.14  -0.02     0.10  -0.06  -0.01    -0.21   0.12   0.03
    25   1    -0.20   0.05   0.02    -0.11   0.05   0.02     0.16  -0.07  -0.02
    26   1     0.24  -0.16   0.03     0.11  -0.08   0.01    -0.21   0.14  -0.04
    27   1    -0.14   0.14  -0.03    -0.05   0.07  -0.01     0.12  -0.11   0.02
    28   6    -0.00  -0.00  -0.00    -0.07  -0.02  -0.05    -0.03  -0.01  -0.04
    29   7    -0.00  -0.00   0.00     0.01   0.00   0.02     0.01  -0.00   0.01
    30   1    -0.00  -0.01  -0.00    -0.05  -0.24  -0.04    -0.03  -0.13  -0.01
    31   1    -0.01   0.01   0.01     0.04   0.35   0.00     0.04   0.20  -0.01
    32   1    -0.00   0.00   0.00     0.12   0.30  -0.02     0.07   0.19  -0.00
    33   1    -0.00  -0.00  -0.01    -0.20  -0.11  -0.11    -0.14  -0.06  -0.06
    34   1     0.01  -0.01   0.00     0.20  -0.12   0.12     0.13  -0.07   0.06
    35   1    -0.01   0.02   0.01    -0.11   0.30   0.03    -0.06   0.20   0.00
    36   1    -0.00  -0.01   0.00     0.04  -0.24   0.04     0.02  -0.14   0.01
    37   1    -0.01   0.01   0.01    -0.02   0.35  -0.00    -0.03   0.20   0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1048.2131              1048.8355              1050.3416
 Red. masses --      3.1942                 3.1878                 3.1363
 Frc consts  --      2.0678                 2.0661                 2.0386
 IR Inten    --     67.9328                59.4079                 9.0356
 RamAct Fr= 1--      0.6000                 1.4413                 1.7209
  Dep-P Fr= 1--      0.7458                 0.6319                 0.2153
  Dep-U Fr= 1--      0.8544                 0.7745                 0.3544
 Alpha2 Fr= 1--      0.0000                 0.0031                 0.0224
 Beta2  Fr= 1--      0.0854                 0.1860                 0.1016
 AlphaG Fr= 1--     -0.0002                 0.0238                -0.0544
 Gamma2 Fr= 1--      2.0161                -1.4523                 1.2038
 Delta2 Fr= 1--      0.9549                -1.1661                 0.9191
 Raman1 Fr= 1--       2.400                  5.765                  6.884
 ROA1   Fr= 1--     224.102               -176.731                144.971
 CID1   Fr= 1--      93.373                -30.654                 21.060
 Raman2 Fr= 1--       1.025                  2.233                  1.220
 ROA2   Fr= 1--      40.747                -25.526                 21.538
 CID2   Fr= 1--      39.742                -11.434                 17.659
 Raman3 Fr= 1--       2.051                  4.465                  2.439
 ROA3   Fr= 1--     224.102               -176.731                144.971
 CID3   Fr= 1--     109.286                -39.581                 59.431
 RC180  Fr= 1--       0.709                  0.549                 -0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.10  -0.14    -0.01  -0.03   0.05     0.03   0.11  -0.15
     2   6     0.09  -0.03   0.15    -0.02   0.01  -0.05     0.10  -0.04   0.16
     3   7    -0.10  -0.01  -0.01     0.03   0.00   0.01    -0.11  -0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.12   0.01  -0.01    -0.02   0.00  -0.01     0.10  -0.01   0.01
     6   6     0.11   0.03   0.17     0.02   0.00   0.04    -0.09  -0.03  -0.14
     7   6     0.03  -0.11  -0.16     0.01  -0.02  -0.04    -0.02   0.10   0.14
     8   7    -0.06   0.10   0.01    -0.01   0.02   0.00     0.05  -0.08  -0.01
     9   7    -0.06  -0.08   0.01     0.02   0.03  -0.00    -0.06  -0.09   0.01
    10   7    -0.00   0.00   0.00     0.01   0.13   0.07     0.00   0.03   0.02
    11   6     0.00  -0.00  -0.00     0.16  -0.10  -0.17     0.04  -0.03  -0.05
    12   1     0.08  -0.11  -0.32     0.02  -0.05  -0.06    -0.07   0.11   0.29
    13   1     0.09  -0.17  -0.20    -0.00  -0.02  -0.05    -0.07   0.14   0.16
    14   1     0.14  -0.01   0.33     0.03   0.00   0.05    -0.11   0.01  -0.29
    15   1     0.17   0.00   0.20     0.03   0.01   0.05    -0.16   0.00  -0.17
    16   1     0.12   0.01   0.29    -0.04   0.00  -0.08     0.12   0.01   0.33
    17   1     0.15  -0.01   0.17    -0.04   0.01  -0.07     0.18  -0.00   0.20
    18   1     0.07   0.09  -0.28    -0.03  -0.05   0.08     0.09   0.12  -0.33
    19   1     0.08   0.14  -0.18    -0.00  -0.03   0.06     0.09   0.15  -0.18
    20   1    -0.01  -0.05   0.04     0.03   0.03  -0.01    -0.01  -0.07   0.03
    21   1     0.12   0.03   0.04    -0.06  -0.02  -0.02     0.11   0.03   0.04
    22   1    -0.06   0.02  -0.04     0.03   0.00   0.00    -0.04   0.03  -0.04
    23   1     0.11   0.09  -0.04    -0.03  -0.04   0.02     0.08   0.08  -0.04
    24   1    -0.07  -0.02  -0.04    -0.02   0.01  -0.00     0.03   0.03   0.03
    25   1     0.12  -0.11  -0.05     0.02  -0.03  -0.01    -0.06   0.07   0.03
    26   1    -0.00   0.06   0.04    -0.03   0.03   0.01     0.01  -0.06  -0.03
    27   1     0.14  -0.04   0.05     0.05  -0.02   0.01    -0.10   0.03  -0.04
    28   6    -0.00  -0.00   0.00    -0.16  -0.10   0.17    -0.04  -0.03   0.05
    29   7    -0.00   0.00  -0.00    -0.01   0.13  -0.07     0.00   0.03  -0.02
    30   1    -0.00  -0.01   0.00    -0.04  -0.18   0.06    -0.01  -0.03   0.02
    31   1     0.00   0.00  -0.00    -0.02   0.05   0.08    -0.00   0.02   0.02
    32   1     0.01  -0.01  -0.01     0.19  -0.20  -0.20     0.05  -0.06  -0.06
    33   1     0.01  -0.01  -0.01     0.37  -0.17  -0.21     0.11  -0.05  -0.06
    34   1    -0.01  -0.00   0.00    -0.38  -0.15   0.21    -0.11  -0.04   0.06
    35   1    -0.00  -0.00   0.00    -0.20  -0.20   0.20    -0.06  -0.06   0.06
    36   1    -0.00  -0.00  -0.00     0.03  -0.18  -0.06     0.01  -0.03  -0.02
    37   1     0.00  -0.00  -0.01     0.02   0.05  -0.08     0.00   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1111.6532              1118.8637              1119.3578
 Red. masses --      1.0209                 1.0281                 1.0262
 Frc consts  --      0.7433                 0.7583                 0.7576
 IR Inten    --      0.4538                 0.5040                 0.1639
 RamAct Fr= 1--      0.4033                 0.5622                 0.8036
  Dep-P Fr= 1--      0.7500                 0.7469                 0.7431
  Dep-U Fr= 1--      0.8571                 0.8551                 0.8526
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0576                 0.0801                 0.1142
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0002
 Gamma2 Fr= 1--     -0.1901                 0.2449                -0.6946
 Delta2 Fr= 1--     -0.0624                -0.0070                -0.3191
 Raman1 Fr= 1--       1.613                  2.249                  3.214
 ROA1   Fr= 1--     -20.243                 23.286                -76.893
 CID1   Fr= 1--     -12.548                 10.356                -23.922
 Raman2 Fr= 1--       0.691                  0.961                  1.370
 ROA2   Fr= 1--      -4.063                  5.934                -14.117
 CID2   Fr= 1--      -5.876                  6.172                -10.302
 Raman3 Fr= 1--       1.383                  1.923                  2.741
 ROA3   Fr= 1--     -20.243                 23.286                -76.893
 CID3   Fr= 1--     -14.639                 12.110                -28.057
 RC180  Fr= 1--       0.714                  0.710                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.01     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     3   7    -0.01  -0.00  -0.01     0.00   0.01  -0.01    -0.01  -0.00  -0.01
     4  45     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.01     0.01  -0.00   0.00     0.01   0.00   0.01
     6   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
     8   7     0.00  -0.01  -0.01    -0.01   0.01   0.00    -0.00   0.01   0.01
     9   7     0.00   0.01  -0.01    -0.01  -0.00  -0.01     0.01   0.01  -0.01
    10   7     0.00  -0.01  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    12   1     0.04  -0.10  -0.07    -0.04   0.11   0.10    -0.03   0.07   0.05
    13   1    -0.08   0.15   0.17     0.08  -0.16  -0.18     0.08  -0.13  -0.14
    14   1    -0.10  -0.01  -0.09     0.10   0.01   0.10     0.09   0.01   0.06
    15   1     0.17  -0.00   0.18    -0.17  -0.00  -0.18    -0.15   0.01  -0.14
    16   1    -0.10   0.02  -0.08     0.01  -0.00   0.02    -0.14   0.02  -0.12
    17   1     0.16  -0.00   0.17    -0.02   0.01  -0.03     0.22  -0.00   0.24
    18   1     0.04   0.10  -0.07    -0.01  -0.03   0.04     0.05   0.13  -0.11
    19   1    -0.09  -0.14   0.16     0.01   0.03  -0.03    -0.13  -0.20   0.23
    20   1    -0.22  -0.16  -0.00     0.05   0.03   0.02    -0.31  -0.21  -0.01
    21   1     0.09   0.14   0.01     0.02   0.01  -0.00     0.11   0.17   0.00
    22   1     0.25   0.10   0.01    -0.05  -0.02   0.01     0.35   0.15   0.00
    23   1    -0.15   0.01  -0.01    -0.01  -0.02   0.00    -0.21  -0.02   0.00
    24   1     0.25  -0.12   0.01    -0.26   0.13   0.01    -0.21   0.10  -0.01
    25   1    -0.16  -0.00  -0.00     0.14  -0.01  -0.00     0.16  -0.04  -0.00
    26   1    -0.23   0.17  -0.00     0.24  -0.18   0.02     0.18  -0.14  -0.01
    27   1     0.09  -0.14   0.00    -0.05   0.11  -0.00    -0.09   0.13  -0.00
    28   6    -0.00   0.00  -0.00    -0.00   0.01   0.00    -0.00  -0.00  -0.00
    29   7     0.00   0.01  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
    30   1    -0.03  -0.12  -0.05    -0.03  -0.16  -0.09     0.02   0.09   0.04
    31   1     0.02   0.26   0.02     0.01   0.36   0.04    -0.00  -0.13  -0.01
    32   1    -0.12   0.14   0.12    -0.17   0.19   0.18     0.07  -0.08  -0.07
    33   1     0.06  -0.08  -0.08     0.06  -0.12  -0.13    -0.02   0.03   0.03
    34   1     0.06   0.07  -0.08     0.06   0.11  -0.12    -0.03  -0.05   0.06
    35   1    -0.12  -0.13   0.12    -0.18  -0.19   0.18     0.06   0.07  -0.07
    36   1    -0.02   0.12  -0.05    -0.03   0.18  -0.09     0.01  -0.05   0.03
    37   1     0.01  -0.26   0.02    -0.00  -0.35   0.03     0.00   0.15  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1170.6366              1172.2226              1189.7807
 Red. masses --      1.0742                 1.0712                 1.0612
 Frc consts  --      0.8674                 0.8672                 0.8851
 IR Inten    --     73.7737                68.4862                 0.8745
 RamAct Fr= 1--      9.9698                 9.4153                 8.4700
  Dep-P Fr= 1--      0.7399                 0.7500                 0.2826
  Dep-U Fr= 1--      0.8505                 0.8571                 0.4407
 Alpha2 Fr= 1--      0.0017                 0.0000                 0.0914
 Beta2  Fr= 1--      1.4133                 1.3450                 0.6222
 AlphaG Fr= 1--      0.0285                 0.0000                -0.0264
 Gamma2 Fr= 1--     -2.7803                 2.1562                -0.6594
 Delta2 Fr= 1--      3.4156                 5.5561                -5.1713
 Raman1 Fr= 1--      39.879                 37.661                 33.880
 ROA1   Fr= 1--    -157.607                384.786               -228.789
 CID1   Fr= 1--      -3.952                 10.217                 -6.753
 Raman2 Fr= 1--      16.959                 16.140                  7.466
 ROA2   Fr= 1--     -94.051                  7.299                 25.544
 CID2   Fr= 1--      -5.546                  0.452                  3.421
 Raman3 Fr= 1--      33.918                 32.281                 14.932
 ROA3   Fr= 1--    -157.607                384.786               -228.789
 CID3   Fr= 1--      -4.647                 11.920                -15.322
 RC180  Fr= 1--       0.701                  0.714                 -0.119
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
     3   7    -0.01  -0.00   0.01    -0.03  -0.01   0.02    -0.03  -0.00   0.01
     4  45    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.01  -0.01  -0.01    -0.03   0.01   0.01     0.03  -0.01  -0.01
     6   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.01
     8   7     0.01  -0.01   0.01    -0.02   0.02  -0.02     0.02  -0.02   0.01
     9   7    -0.01  -0.01  -0.01    -0.03  -0.02  -0.02    -0.02  -0.02  -0.01
    10   7    -0.02  -0.04   0.00    -0.00  -0.00   0.00     0.01   0.02   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.01
    12   1     0.04  -0.10  -0.12    -0.08   0.18   0.21     0.07  -0.18  -0.18
    13   1    -0.01   0.02   0.02     0.01  -0.01  -0.01    -0.01   0.01   0.01
    14   1     0.09   0.00   0.10    -0.20  -0.02  -0.21     0.19   0.02   0.19
    15   1    -0.01   0.01   0.00     0.02  -0.00   0.01    -0.02   0.00  -0.02
    16   1    -0.08   0.00  -0.09    -0.20   0.02  -0.22    -0.19   0.03  -0.19
    17   1     0.01   0.01  -0.01     0.01   0.00   0.01     0.02   0.00   0.02
    18   1    -0.04  -0.09   0.11    -0.09  -0.18   0.22    -0.08  -0.17   0.18
    19   1     0.01   0.02  -0.02     0.02   0.02  -0.02     0.01   0.01  -0.01
    20   1     0.10   0.06   0.05     0.17   0.09   0.10     0.14   0.07   0.07
    21   1     0.16   0.09   0.02     0.28   0.17   0.04     0.25   0.16   0.04
    22   1     0.05   0.03  -0.04     0.17   0.09  -0.09     0.15   0.08  -0.07
    23   1     0.12   0.05  -0.01     0.31   0.17  -0.04     0.26   0.13  -0.03
    24   1    -0.06   0.04   0.04     0.17  -0.10  -0.09    -0.15   0.09   0.07
    25   1    -0.13   0.07   0.01     0.30  -0.18  -0.04    -0.26   0.14   0.03
    26   1    -0.10   0.06  -0.05     0.15  -0.09   0.10    -0.13   0.08  -0.07
    27   1    -0.17   0.11  -0.02     0.27  -0.18   0.04    -0.24   0.17  -0.04
    28   6     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.01
    29   7     0.02  -0.04  -0.00    -0.00   0.00   0.00    -0.01   0.02  -0.01
    30   1     0.05   0.43  -0.01     0.00   0.03  -0.01    -0.03  -0.23  -0.01
    31   1     0.11   0.23  -0.04     0.00  -0.00   0.00    -0.05  -0.10   0.03
    32   1    -0.01   0.02   0.01     0.01  -0.02  -0.01    -0.01  -0.03  -0.01
    33   1     0.19  -0.20  -0.22    -0.00   0.00  -0.00    -0.09   0.13   0.14
    34   1    -0.20  -0.20   0.22    -0.01  -0.01   0.01     0.10   0.13  -0.14
    35   1     0.01   0.02  -0.01     0.01   0.02  -0.01     0.00  -0.03   0.01
    36   1    -0.03   0.43   0.01    -0.00  -0.01  -0.01     0.02  -0.24   0.01
    37   1    -0.10   0.23   0.04    -0.00   0.01   0.00     0.05  -0.10  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1223.4618              1226.3144              1244.7594
 Red. masses --      1.2544                 1.2485                 1.2398
 Frc consts  --      1.1063                 1.1062                 1.1318
 IR Inten    --      6.1565                 0.1951                32.6750
 RamAct Fr= 1--      6.6333                 7.4221                 0.9767
  Dep-P Fr= 1--      0.7500                 0.7498                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.9476                 1.0602                 0.1395
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      1.4312                -5.4458                -0.4577
 Delta2 Fr= 1--      0.2483                -0.2901                -0.0571
 Raman1 Fr= 1--      26.533                 29.688                  3.907
 ROA1   Fr= 1--     145.342               -532.077                -45.769
 CID1   Fr= 1--       5.478                -17.922                -11.715
 Raman2 Fr= 1--      11.371                 12.722                  1.674
 ROA2   Fr= 1--      32.363               -128.377                -10.528
 CID2   Fr= 1--       2.846                -10.091                 -6.288
 Raman3 Fr= 1--      22.742                 25.444                  3.348
 ROA3   Fr= 1--     145.342               -532.077                -45.769
 CID3   Fr= 1--       6.391                -20.912                -13.669
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01  -0.01    -0.03  -0.02  -0.02    -0.03  -0.01  -0.01
     2   6     0.01   0.01  -0.01     0.03   0.02  -0.02     0.03   0.02  -0.01
     3   7    -0.02  -0.01   0.02    -0.04  -0.02   0.03    -0.04  -0.02   0.02
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.02   0.01   0.02     0.04  -0.02  -0.03    -0.03   0.02   0.02
     6   6     0.01  -0.01  -0.01    -0.03   0.02   0.02     0.03  -0.02  -0.01
     7   6    -0.02   0.01  -0.01     0.03  -0.02   0.02    -0.03   0.01  -0.01
     8   7     0.02  -0.01   0.02    -0.04   0.03  -0.03     0.04  -0.02   0.02
     9   7     0.02   0.01   0.01     0.04   0.02   0.03     0.04   0.02   0.02
    10   7     0.04   0.06  -0.01    -0.00   0.00  -0.01    -0.03  -0.03  -0.00
    11   6    -0.02  -0.05   0.01     0.00  -0.00   0.01     0.01   0.02   0.00
    12   1     0.00  -0.02  -0.07    -0.01   0.02   0.13     0.01  -0.03  -0.11
    13   1     0.01  -0.01  -0.01    -0.01  -0.01  -0.00     0.02  -0.01  -0.01
    14   1    -0.00   0.00  -0.08     0.05   0.01   0.15    -0.01  -0.01  -0.08
    15   1     0.00   0.00  -0.00    -0.02  -0.01  -0.00    -0.03   0.02  -0.03
    16   1    -0.00  -0.00  -0.07    -0.05   0.01  -0.15    -0.01   0.01  -0.08
    17   1     0.00  -0.00  -0.00     0.01  -0.01   0.00    -0.03  -0.01  -0.02
    18   1     0.00   0.02  -0.06     0.01   0.02  -0.13     0.01   0.03  -0.11
    19   1     0.01   0.01  -0.02     0.01  -0.01   0.00     0.02   0.01  -0.01
    20   1    -0.06  -0.03  -0.05    -0.16  -0.08  -0.14    -0.11  -0.06  -0.09
    21   1    -0.16  -0.12  -0.02    -0.33  -0.22  -0.03    -0.33  -0.20  -0.04
    22   1     0.08   0.05  -0.08     0.16   0.09  -0.13     0.12   0.06  -0.08
    23   1     0.18   0.09  -0.01     0.40   0.17  -0.03     0.33   0.17  -0.03
    24   1     0.09  -0.06  -0.08    -0.15   0.10   0.13     0.11  -0.07  -0.08
    25   1     0.20  -0.11  -0.01    -0.38   0.18   0.03     0.32  -0.18  -0.03
    26   1    -0.07   0.04  -0.06     0.15  -0.08   0.14    -0.11   0.06  -0.09
    27   1    -0.17   0.14  -0.02     0.32  -0.23   0.03    -0.32   0.21  -0.04
    28   6    -0.02   0.05   0.01    -0.01   0.00  -0.01     0.01  -0.03   0.00
    29   7     0.03  -0.06  -0.01     0.01  -0.00   0.01    -0.02   0.03  -0.00
    30   1    -0.06  -0.53  -0.01     0.01   0.03   0.02     0.03   0.28   0.02
    31   1    -0.13  -0.18   0.06    -0.00  -0.01  -0.01     0.09   0.13  -0.05
    32   1    -0.02   0.04   0.01     0.02   0.02  -0.00    -0.02   0.05   0.05
    33   1    -0.13   0.01   0.07     0.00  -0.04  -0.04     0.10  -0.05  -0.08
    34   1    -0.13  -0.01   0.07    -0.01  -0.04   0.04     0.11   0.04  -0.08
    35   1    -0.02  -0.04   0.01    -0.02   0.01   0.00    -0.03  -0.05   0.05
    36   1    -0.04   0.53  -0.01    -0.01   0.05  -0.03     0.02  -0.28   0.02
    37   1    -0.12   0.19   0.06    -0.01  -0.00   0.01     0.08  -0.14  -0.05
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1292.2906              1292.6053              1297.3038
 Red. masses --      1.4046                 1.3948                 1.3712
 Frc consts  --      1.3820                 1.3731                 1.3596
 IR Inten    --      0.4428                 0.0353                 1.3624
 RamAct Fr= 1--      2.7508                 6.2178                 2.0736
  Dep-P Fr= 1--      0.5812                 0.0515                 0.6227
  Dep-U Fr= 1--      0.7351                 0.0979                 0.7675
 Alpha2 Fr= 1--      0.0087                 0.1224                 0.0048
 Beta2  Fr= 1--      0.3370                 0.1015                 0.2653
 AlphaG Fr= 1--     -0.0005                -0.0186                 0.0118
 Gamma2 Fr= 1--      0.5246                -1.2941                 1.3149
 Delta2 Fr= 1--      0.1896                -1.1362                 1.0763
 Raman1 Fr= 1--      11.003                 24.871                  8.295
 ROA1   Fr= 1--      56.428               -160.596                160.677
 CID1   Fr= 1--       5.128                 -6.457                 19.371
 Raman2 Fr= 1--       4.044                  1.218                  3.183
 ROA2   Fr= 1--      11.073                -21.970                 22.948
 CID2   Fr= 1--       2.738                -18.042                  7.209
 Raman3 Fr= 1--       8.089                  2.435                  6.366
 ROA3   Fr= 1--      56.428               -160.596                160.677
 CID3   Fr= 1--       6.976                -65.943                 25.239
 RC180  Fr= 1--       0.470                 -0.804                  0.535
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.05  -0.02    -0.04   0.06   0.03     0.03  -0.05  -0.02
     2   6    -0.03   0.06   0.02     0.03  -0.07  -0.04    -0.02   0.06   0.02
     3   7    -0.00  -0.03  -0.01    -0.00   0.02   0.02    -0.01  -0.02  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00   0.03  -0.02     0.00   0.01  -0.01     0.00  -0.02   0.01
     6   6    -0.05  -0.08   0.04    -0.02  -0.03   0.02     0.02   0.05  -0.02
     7   6     0.05   0.08  -0.04     0.02   0.03  -0.02    -0.03  -0.05   0.02
     8   7    -0.03  -0.01   0.02    -0.01  -0.00   0.01     0.02   0.01  -0.01
     9   7    -0.02   0.01   0.01     0.02  -0.01  -0.02    -0.02   0.01   0.01
    10   7     0.00  -0.01   0.00     0.03  -0.02   0.02     0.02  -0.01   0.01
    11   6    -0.01   0.00  -0.01    -0.06   0.01  -0.06    -0.06   0.00  -0.06
    12   1     0.02  -0.08   0.09    -0.01   0.02   0.06    -0.02   0.06  -0.01
    13   1    -0.05  -0.03  -0.32    -0.02  -0.03  -0.14     0.04  -0.00   0.17
    14   1     0.09   0.02  -0.08    -0.01   0.01  -0.06    -0.06  -0.01   0.03
    15   1    -0.02   0.07   0.31     0.02   0.02   0.13     0.01  -0.04  -0.17
    16   1     0.07  -0.01  -0.03    -0.04   0.01   0.09     0.07  -0.01  -0.03
    17   1    -0.03  -0.04   0.19    -0.00   0.05  -0.26    -0.02  -0.04   0.19
    18   1     0.02   0.07   0.05     0.00  -0.02  -0.10     0.03   0.07   0.02
    19   1    -0.03   0.02  -0.20     0.03  -0.04   0.27    -0.04   0.00  -0.19
    20   1     0.20   0.17  -0.02    -0.23  -0.19   0.02     0.18   0.16  -0.03
    21   1    -0.08  -0.14   0.01     0.08   0.16  -0.01    -0.11  -0.16   0.00
    22   1     0.25   0.08   0.03    -0.27  -0.08  -0.04     0.25   0.08   0.02
    23   1    -0.17   0.01  -0.01     0.21   0.01   0.01    -0.14   0.01  -0.01
    24   1     0.36  -0.13   0.05     0.11  -0.04   0.02    -0.23   0.09  -0.01
    25   1    -0.26   0.00  -0.02    -0.10   0.02  -0.00     0.13   0.00   0.01
    26   1     0.28  -0.26  -0.03     0.10  -0.08  -0.00    -0.16   0.15   0.02
    27   1    -0.11   0.22   0.01    -0.03   0.07   0.01     0.10  -0.16  -0.00
    28   6     0.01  -0.00   0.01     0.06   0.01   0.06     0.06   0.00   0.06
    29   7    -0.01  -0.00  -0.00    -0.03  -0.02  -0.02    -0.02  -0.01  -0.01
    30   1    -0.01  -0.02  -0.03    -0.03  -0.16  -0.11    -0.03  -0.17  -0.10
    31   1     0.00   0.08   0.02     0.00   0.33   0.07     0.00   0.30   0.06
    32   1    -0.06  -0.02   0.03    -0.23  -0.04   0.12    -0.25   0.00   0.15
    33   1     0.01   0.00  -0.01     0.08   0.04   0.01     0.09   0.02  -0.00
    34   1    -0.02   0.02  -0.01    -0.07   0.04  -0.00    -0.09   0.03   0.00
    35   1     0.05  -0.01  -0.02     0.23  -0.06  -0.13     0.25  -0.01  -0.15
    36   1     0.01  -0.05   0.02     0.02  -0.15   0.11     0.02  -0.18   0.10
    37   1     0.00   0.07  -0.02     0.01   0.33  -0.07     0.01   0.30  -0.06
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.4597              1333.7213              1340.3173
 Red. masses --      1.1857                 1.1927                 1.1701
 Frc consts  --      1.2385                 1.2500                 1.2384
 IR Inten    --     24.5007                27.3947                 0.0260
 RamAct Fr= 1--      3.2472                 3.4340                 2.7686
  Dep-P Fr= 1--      0.7500                 0.7480                 0.2455
  Dep-U Fr= 1--      0.8571                 0.8559                 0.3943
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0332
 Beta2  Fr= 1--      0.4639                 0.4898                 0.1819
 AlphaG Fr= 1--      0.0000                 0.0049                 0.0194
 Gamma2 Fr= 1--     -5.7103                 3.3687                -2.5346
 Delta2 Fr= 1--     -5.7461                 1.6127                -1.9795
 Raman1 Fr= 1--      12.989                 13.736                 11.074
 ROA1   Fr= 1--    -732.067                375.001               -306.669
 CID1   Fr= 1--     -56.361                 27.301                -27.692
 Raman2 Fr= 1--       5.567                  5.878                  2.183
 ROA2   Fr= 1--     -91.079                 67.948                -44.995
 CID2   Fr= 1--     -16.362                 11.560                -20.610
 Raman3 Fr= 1--      11.133                 11.756                  4.366
 ROA3   Fr= 1--    -732.067                375.001               -306.669
 CID3   Fr= 1--     -65.756                 31.899                -70.236
 RC180  Fr= 1--       0.714                  0.712                 -0.211
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.04     0.01  -0.01   0.02    -0.01   0.01  -0.03
     2   6     0.00   0.01  -0.04    -0.00   0.01  -0.02    -0.01  -0.00   0.02
     3   7    -0.02  -0.04   0.01    -0.01  -0.03   0.01     0.02   0.02  -0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   7    -0.02   0.04   0.01     0.01  -0.02  -0.01    -0.01   0.02   0.01
     6   6     0.00  -0.01  -0.04     0.00   0.01   0.02     0.01  -0.00  -0.02
     7   6     0.01   0.00   0.04    -0.01  -0.01  -0.02     0.01   0.01   0.03
     8   7    -0.04  -0.00  -0.02     0.02   0.00   0.00    -0.04  -0.00  -0.01
     9   7    -0.04   0.00  -0.02    -0.02   0.00  -0.01     0.04  -0.00   0.01
    10   7     0.00  -0.00   0.00    -0.01  -0.04   0.03     0.00  -0.03   0.02
    11   6    -0.00  -0.00  -0.00     0.04   0.01  -0.02     0.02   0.01  -0.02
    12   1     0.10  -0.25  -0.19    -0.06   0.14   0.12     0.10  -0.22  -0.19
    13   1    -0.07   0.15   0.22     0.05  -0.08  -0.09    -0.09   0.17   0.19
    14   1     0.28   0.02   0.23    -0.15  -0.01  -0.10     0.14   0.01   0.10
    15   1    -0.18  -0.01  -0.23     0.08   0.00   0.10    -0.10  -0.01  -0.16
    16   1     0.27  -0.03   0.22     0.18  -0.02   0.12    -0.16   0.02  -0.12
    17   1    -0.17   0.01  -0.22    -0.10   0.01  -0.12     0.12  -0.01   0.17
    18   1     0.10   0.23  -0.17     0.07   0.14  -0.12    -0.10  -0.20   0.17
    19   1    -0.07  -0.14   0.20    -0.05  -0.09   0.10     0.09   0.16  -0.19
    20   1     0.13   0.11   0.06     0.10   0.08   0.02    -0.16  -0.13  -0.05
    21   1     0.13   0.05   0.02     0.05   0.00   0.01    -0.13  -0.03  -0.02
    22   1     0.18   0.06  -0.05     0.14   0.05  -0.04    -0.13  -0.05   0.03
    23   1     0.08   0.09  -0.02     0.06   0.05  -0.01    -0.10  -0.06   0.01
    24   1     0.19  -0.07  -0.06    -0.12   0.05   0.03     0.11  -0.05  -0.03
    25   1     0.08  -0.10  -0.02    -0.05   0.05   0.01     0.11  -0.06  -0.01
    26   1     0.14  -0.12   0.07    -0.09   0.08  -0.02     0.17  -0.15   0.05
    27   1     0.14  -0.05   0.02    -0.04  -0.00  -0.01     0.13  -0.03   0.02
    28   6     0.00   0.00  -0.00    -0.04   0.01   0.02    -0.02   0.01   0.02
    29   7     0.00   0.00   0.00     0.01  -0.04  -0.03    -0.00  -0.03  -0.02
    30   1    -0.00  -0.01  -0.01     0.01   0.16  -0.04     0.00   0.09  -0.04
    31   1    -0.01   0.02   0.01     0.08   0.21   0.01     0.05   0.22   0.02
    32   1    -0.01  -0.02  -0.00     0.20  -0.16  -0.19     0.09  -0.13  -0.11
    33   1    -0.02   0.01   0.01    -0.15   0.26   0.26    -0.09   0.17   0.16
    34   1    -0.03  -0.02   0.02     0.16   0.25  -0.25     0.10   0.17  -0.16
    35   1     0.01   0.03  -0.01    -0.20  -0.15   0.19    -0.10  -0.13   0.11
    36   1    -0.00   0.00  -0.01    -0.00   0.16   0.04    -0.00   0.09   0.04
    37   1    -0.00  -0.03   0.01    -0.07   0.21  -0.01    -0.04   0.22  -0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1347.5049              1348.6581              1350.4537
 Red. masses --      1.1947                 1.1898                 1.1935
 Frc consts  --      1.2781                 1.2751                 1.2824
 IR Inten    --      8.2756                 1.8523                 9.5788
 RamAct Fr= 1--      3.6856                11.9998                 9.8463
  Dep-P Fr= 1--      0.7486                 0.7478                 0.7500
  Dep-U Fr= 1--      0.8562                 0.8557                 0.8571
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0000
 Beta2  Fr= 1--      0.5259                 1.7114                 1.4066
 AlphaG Fr= 1--      0.0001                 0.0009                 0.0000
 Gamma2 Fr= 1--      4.0315                14.3108                -7.4015
 Delta2 Fr= 1--      0.8439                 3.3696                -0.5136
 Raman1 Fr= 1--      14.742                 47.999                 39.385
 ROA1   Fr= 1--     414.026               1481.660               -726.974
 CID1   Fr= 1--      28.084                 30.868                -18.458
 Raman2 Fr= 1--       6.311                 20.536                 16.879
 ROA2   Fr= 1--      90.004                316.501               -173.526
 CID2   Fr= 1--      14.261                 15.412                -10.281
 Raman3 Fr= 1--      12.623                 41.073                 33.758
 ROA3   Fr= 1--     414.026               1481.660               -726.974
 CID3   Fr= 1--      32.800                 36.074                -21.535
 RC180  Fr= 1--       0.712                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.01    -0.00   0.05  -0.00     0.00   0.01  -0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.03  -0.01    -0.01   0.00  -0.00
     3   7    -0.00  -0.04  -0.00    -0.01  -0.05  -0.00     0.00  -0.01  -0.00
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.04  -0.00     0.01  -0.04   0.00     0.00   0.01  -0.00
     6   6    -0.04  -0.03  -0.01     0.03   0.03   0.01    -0.01  -0.00  -0.00
     7   6    -0.01  -0.05  -0.01     0.00   0.04   0.00     0.00  -0.01   0.00
     8   7     0.04   0.01  -0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     9   7     0.04  -0.02   0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.01   0.01     0.00   0.00  -0.00    -0.02   0.04  -0.04
    11   6    -0.00  -0.01  -0.01    -0.00   0.00   0.00     0.01   0.03   0.06
    12   1    -0.11   0.23   0.26     0.09  -0.20  -0.20    -0.01   0.03   0.04
    13   1     0.11  -0.16  -0.06    -0.07   0.11   0.03     0.01  -0.01   0.01
    14   1     0.25   0.01   0.26    -0.27  -0.01  -0.27     0.05   0.00   0.06
    15   1    -0.18   0.02  -0.07     0.19  -0.02   0.10    -0.04   0.00  -0.03
    16   1     0.21  -0.01   0.23     0.28  -0.02   0.28     0.05  -0.00   0.06
    17   1    -0.15  -0.01  -0.05    -0.20  -0.01  -0.10    -0.04  -0.00  -0.02
    18   1    -0.13  -0.23   0.27    -0.11  -0.21   0.23    -0.02  -0.03   0.05
    19   1     0.12   0.15  -0.07     0.09   0.12  -0.04     0.01   0.01   0.01
    20   1    -0.21  -0.19  -0.02    -0.19  -0.17  -0.01    -0.01  -0.02   0.01
    21   1    -0.02   0.08  -0.01     0.00   0.09  -0.01     0.04   0.04   0.00
    22   1     0.21   0.06  -0.00     0.30   0.09  -0.01     0.05   0.01   0.00
    23   1    -0.08   0.04  -0.01    -0.05   0.05  -0.02    -0.03   0.00  -0.00
    24   1     0.25  -0.08  -0.01    -0.28   0.10   0.01     0.04  -0.01   0.00
    25   1    -0.08  -0.05  -0.02     0.04   0.05   0.02    -0.03  -0.00  -0.00
    26   1    -0.20   0.20  -0.02     0.16  -0.16   0.01    -0.01   0.01   0.01
    27   1    -0.01  -0.09  -0.01    -0.00   0.08   0.01     0.04  -0.04   0.01
    28   6    -0.00   0.01  -0.01     0.00   0.00  -0.01     0.00  -0.03   0.06
    29   7     0.00   0.01   0.01    -0.00   0.01   0.00    -0.02  -0.04  -0.04
    30   1    -0.00  -0.01  -0.02    -0.00  -0.02   0.01     0.02   0.03   0.11
    31   1     0.01   0.06   0.01    -0.01  -0.03   0.00    -0.05  -0.37  -0.07
    32   1     0.01  -0.03  -0.03    -0.02   0.00   0.02    -0.04   0.21   0.12
    33   1    -0.04   0.06   0.07     0.01  -0.03  -0.03     0.27  -0.30  -0.30
    34   1    -0.03  -0.05   0.06    -0.01  -0.04   0.04     0.28   0.29  -0.31
    35   1     0.01   0.02  -0.02     0.02   0.01  -0.02    -0.04  -0.21   0.12
    36   1    -0.00   0.02  -0.01    -0.00  -0.02  -0.01     0.02  -0.03   0.11
    37   1     0.01  -0.05   0.01     0.01  -0.04  -0.00    -0.04   0.38  -0.07
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.6482              1405.3722              1406.9164
 Red. masses --      1.2658                 1.2682                 1.2640
 Frc consts  --      1.4714                 1.4757                 1.4741
 IR Inten    --      0.5887                 1.1744                 1.3061
 RamAct Fr= 1--      0.7800                 2.2414                 1.5931
  Dep-P Fr= 1--      0.7500                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1114                 0.3202                 0.2276
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.7288                -2.7408                 2.0661
 Delta2 Fr= 1--     -0.2750                -1.1375                 1.0084
 Raman1 Fr= 1--       3.120                  8.966                  6.372
 ROA1   Fr= 1--     -78.766               -299.520                230.609
 CID1   Fr= 1--     -25.245                -33.407                 36.189
 Raman2 Fr= 1--       1.337                  3.842                  2.731
 ROA2   Fr= 1--     -15.291                -56.681                 41.518
 CID2   Fr= 1--     -11.435                -14.752                 15.203
 Raman3 Fr= 1--       2.674                  7.684                  5.462
 ROA3   Fr= 1--     -78.766               -299.520                230.609
 CID3   Fr= 1--     -29.453                -38.978                 42.221
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.05     0.04   0.02  -0.06    -0.01  -0.01   0.02
     2   6    -0.03  -0.01  -0.05    -0.04  -0.02  -0.07     0.01   0.00   0.02
     3   7    -0.01   0.01   0.01    -0.01   0.01   0.02     0.01  -0.00  -0.01
     4  45    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.01  -0.01   0.02     0.01   0.01  -0.02     0.01   0.00  -0.01
     6   6    -0.04   0.02  -0.06     0.03  -0.02   0.05     0.01  -0.01   0.02
     7   6     0.04  -0.03  -0.06    -0.03   0.02   0.05    -0.01   0.01   0.02
     8   7    -0.00  -0.02   0.02     0.00   0.01  -0.01    -0.00   0.01  -0.01
     9   7    -0.00   0.01   0.02    -0.00   0.02   0.02    -0.00  -0.01  -0.01
    10   7    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.01  -0.01
    11   6     0.02  -0.02  -0.01     0.01  -0.01  -0.00     0.07  -0.06  -0.03
    12   1    -0.07   0.16   0.23     0.06  -0.12  -0.20     0.02  -0.05  -0.06
    13   1    -0.14   0.27   0.24     0.09  -0.21  -0.20     0.04  -0.07  -0.06
    14   1     0.16   0.00   0.25    -0.13  -0.00  -0.21    -0.05  -0.00  -0.07
    15   1     0.29   0.01   0.26    -0.25  -0.01  -0.23    -0.09   0.00  -0.08
    16   1     0.12  -0.01   0.19     0.17  -0.01   0.26    -0.06   0.01  -0.07
    17   1     0.22  -0.02   0.20     0.31  -0.03   0.29    -0.10   0.00  -0.09
    18   1    -0.06  -0.12   0.17    -0.08  -0.15   0.25     0.02   0.05  -0.06
    19   1    -0.12  -0.21   0.19    -0.13  -0.26   0.25     0.04   0.08  -0.06
    20   1     0.08   0.08  -0.02     0.10   0.10  -0.02    -0.02  -0.03   0.01
    21   1    -0.06  -0.08   0.01    -0.08  -0.10   0.01     0.04   0.04   0.00
    22   1    -0.09  -0.02  -0.02    -0.15  -0.04  -0.03     0.04   0.01   0.01
    23   1     0.10   0.01   0.01     0.13   0.02   0.01    -0.06  -0.01  -0.00
    24   1    -0.13   0.04  -0.03     0.12  -0.03   0.03     0.03  -0.01   0.01
    25   1     0.13  -0.02   0.01    -0.10   0.03  -0.01    -0.06   0.01  -0.00
    26   1     0.10  -0.11  -0.02    -0.07   0.08   0.02    -0.02   0.02   0.01
    27   1    -0.07   0.11   0.01     0.06  -0.08  -0.00     0.04  -0.04   0.00
    28   6     0.03   0.02  -0.01     0.00   0.00   0.00     0.07   0.05  -0.03
    29   7    -0.01   0.00  -0.00     0.00  -0.00  -0.00    -0.03   0.01  -0.01
    30   1     0.00   0.05   0.02     0.00   0.02   0.00     0.02   0.15   0.07
    31   1     0.00  -0.06  -0.02     0.00  -0.02  -0.01     0.01  -0.18  -0.06
    32   1    -0.08   0.09   0.11    -0.02   0.04   0.03    -0.23   0.32   0.30
    33   1    -0.09   0.05   0.05    -0.01   0.02   0.02    -0.24   0.17   0.20
    34   1    -0.09  -0.05   0.06    -0.02   0.00  -0.00    -0.25  -0.16   0.20
    35   1    -0.09  -0.10   0.11    -0.01   0.01   0.01    -0.24  -0.31   0.31
    36   1     0.00  -0.05   0.02     0.00  -0.00   0.00     0.01  -0.15   0.07
    37   1     0.01   0.06  -0.02    -0.00   0.00   0.00     0.01   0.18  -0.06
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1507              1444.8377              1445.3761
 Red. masses --      1.4462                 1.4516                 1.4413
 Frc consts  --      1.7746                 1.7853                 1.7740
 IR Inten    --      3.8377                 0.8426                 2.5602
 RamAct Fr= 1--      0.4270                 0.3112                 0.9314
  Dep-P Fr= 1--      0.7489                 0.6218                 0.6771
  Dep-U Fr= 1--      0.8564                 0.7668                 0.8075
 Alpha2 Fr= 1--      0.0000                 0.0007                 0.0012
 Beta2  Fr= 1--      0.0609                 0.0398                 0.1253
 AlphaG Fr= 1--     -0.0002                 0.0029                -0.0393
 Gamma2 Fr= 1--      0.8908                -1.1022                 0.1665
 Delta2 Fr= 1--      0.5906                -0.7168                 0.3107
 Raman1 Fr= 1--       1.708                  1.245                  3.725
 ROA1   Fr= 1--     104.411               -128.745                 25.923
 CID1   Fr= 1--      61.137               -103.417                  6.958
 Raman2 Fr= 1--       0.731                  0.477                  1.504
 ROA2   Fr= 1--      16.654                -20.717                  1.510
 CID2   Fr= 1--      22.774                -43.405                  1.004
 Raman3 Fr= 1--       1.463                  0.955                  3.008
 ROA3   Fr= 1--     104.411               -128.745                 25.923
 CID3   Fr= 1--      71.388               -134.869                  8.617
 RC180  Fr= 1--       0.713                  0.534                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.08     0.00   0.01  -0.03    -0.01  -0.03   0.09
     2   6    -0.03   0.01  -0.08     0.01  -0.00   0.04    -0.03   0.01  -0.09
     3   7    -0.01   0.01   0.02     0.00  -0.00  -0.01    -0.01   0.00   0.02
     4  45     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.01  -0.00   0.03    -0.00  -0.00   0.01     0.01   0.00  -0.02
     6   6    -0.03  -0.01  -0.10    -0.01  -0.00  -0.03     0.03   0.01   0.07
     7   6    -0.01   0.04   0.10     0.00   0.01   0.03     0.01  -0.03  -0.08
     8   7    -0.00   0.01  -0.03    -0.00   0.00  -0.01     0.00  -0.01   0.02
     9   7    -0.00  -0.01  -0.02     0.00   0.00   0.01    -0.00  -0.01  -0.03
    10   7    -0.00  -0.00   0.00    -0.04  -0.01  -0.00    -0.01  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.10  -0.03  -0.07     0.04  -0.01  -0.02
    12   1     0.09  -0.09  -0.17     0.03  -0.04  -0.05    -0.07   0.10   0.14
    13   1     0.08  -0.28  -0.33     0.02  -0.07  -0.08    -0.08   0.24   0.26
    14   1     0.12  -0.04   0.18     0.02  -0.02   0.07    -0.10   0.02  -0.13
    15   1     0.27   0.06   0.34     0.07   0.04   0.12    -0.21  -0.04  -0.25
    16   1     0.10   0.03   0.15    -0.03  -0.03  -0.08     0.11   0.03   0.15
    17   1     0.23  -0.06   0.29    -0.08   0.04  -0.14     0.24  -0.06   0.29
    18   1     0.08   0.08  -0.15    -0.03  -0.04   0.06     0.09   0.11  -0.16
    19   1     0.08   0.24  -0.29    -0.03  -0.08   0.11     0.11   0.27  -0.31
    20   1    -0.05  -0.07   0.06    -0.00   0.01  -0.02    -0.06  -0.08   0.06
    21   1     0.11   0.08  -0.00    -0.04  -0.03   0.00     0.13   0.11  -0.00
    22   1    -0.08  -0.01  -0.05     0.03   0.00   0.02    -0.07  -0.01  -0.07
    23   1     0.12   0.04   0.01    -0.05  -0.02  -0.00     0.14   0.06   0.00
    24   1    -0.09   0.02  -0.06    -0.02   0.00  -0.02     0.06  -0.01   0.06
    25   1     0.14  -0.05   0.01     0.04  -0.02   0.00    -0.12   0.06  -0.00
    26   1    -0.06   0.08   0.07     0.01   0.00   0.02     0.05  -0.07  -0.05
    27   1     0.12  -0.10  -0.00     0.03  -0.03   0.00    -0.11   0.10   0.00
    28   6    -0.00   0.00   0.00    -0.10  -0.03   0.07    -0.04  -0.01   0.02
    29   7    -0.00   0.00  -0.00     0.03  -0.01   0.00     0.01  -0.00   0.00
    30   1     0.00   0.02  -0.00     0.01   0.20   0.03     0.00   0.06   0.02
    31   1     0.01  -0.01  -0.01     0.06  -0.11  -0.07     0.01  -0.06  -0.02
    32   1     0.00   0.02   0.00    -0.30   0.25   0.37    -0.12   0.09   0.15
    33   1     0.01   0.01   0.01    -0.19   0.16   0.11    -0.08   0.04   0.02
    34   1     0.01  -0.00   0.01     0.20   0.15  -0.11     0.08   0.04  -0.02
    35   1     0.00  -0.02  -0.00     0.31   0.24  -0.37     0.12   0.08  -0.15
    36   1    -0.00  -0.01  -0.00     0.00   0.20  -0.03    -0.00   0.05  -0.02
    37   1     0.00   0.01  -0.00    -0.06  -0.11   0.07    -0.01  -0.06   0.02
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.8905              1503.4571              1503.9151
 Red. masses --      1.0801                 1.0800                 1.0826
 Frc consts  --      1.4374                 1.4384                 1.4427
 IR Inten    --     32.4558                25.4529                16.8824
 RamAct Fr= 1--      4.5639                 9.1462                 7.4603
  Dep-P Fr= 1--      0.6476                 0.5525                 0.3225
  Dep-U Fr= 1--      0.7861                 0.7118                 0.4878
 Alpha2 Fr= 1--      0.0084                 0.0345                 0.0714
 Beta2  Fr= 1--      0.5980                 1.0850                 0.6065
 AlphaG Fr= 1--      0.0010                 0.0795                 0.0646
 Gamma2 Fr= 1--     -0.9691                 0.4143                -0.3557
 Delta2 Fr= 1--     -1.0842                 0.4693                 0.6556
 Raman1 Fr= 1--      18.256                 36.585                 29.841
 ROA1   Fr= 1--    -127.730                 54.792                -13.167
 CID1   Fr= 1--      -6.997                  1.498                 -0.441
 Raman2 Fr= 1--       7.176                 13.020                  7.278
 ROA2   Fr= 1--     -14.585                  6.189                -13.782
 CID2   Fr= 1--      -2.033                  0.475                 -1.894
 Raman3 Fr= 1--      14.351                 26.040                 14.555
 ROA3   Fr= 1--    -127.730                 54.792                -13.167
 CID3   Fr= 1--      -8.900                  2.104                 -0.905
 RC180  Fr= 1--       0.572                  0.424                 -0.024
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01     0.00   0.00   0.00    -0.03  -0.04  -0.05
     2   6    -0.01  -0.00   0.01     0.02  -0.00  -0.02     0.01  -0.00  -0.01
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     4  45     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00   0.00     0.01   0.00  -0.02     0.01   0.00  -0.01
     7   6    -0.01   0.02  -0.02    -0.03   0.05  -0.05     0.00  -0.00   0.00
     8   7    -0.00   0.00  -0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
     9   7    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.01  -0.00
    10   7    -0.00  -0.01  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    11   6    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.01   0.02   0.01
    12   1    -0.05  -0.21   0.14    -0.12  -0.52   0.33     0.00   0.01  -0.01
    13   1     0.22  -0.04   0.11     0.54  -0.13   0.26    -0.01   0.01   0.00
    14   1     0.06   0.05  -0.05    -0.11  -0.08   0.08    -0.11  -0.08   0.09
    15   1     0.07  -0.06  -0.01    -0.05   0.11   0.09    -0.08   0.11   0.07
    16   1     0.06  -0.05  -0.05    -0.12   0.11   0.10    -0.08   0.06   0.06
    17   1     0.07   0.06  -0.02    -0.11  -0.13   0.08    -0.04  -0.08   0.08
    18   1    -0.01   0.07   0.05     0.00  -0.01  -0.01    -0.09   0.50   0.32
    19   1     0.07   0.01   0.04    -0.02  -0.01   0.00     0.52   0.09   0.26
    20   1     0.02   0.01   0.00    -0.01  -0.01   0.01     0.02   0.01  -0.01
    21   1     0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    22   1    -0.01  -0.01   0.01    -0.03  -0.01   0.01    -0.01  -0.00   0.02
    23   1     0.01  -0.01   0.00     0.01  -0.01   0.00     0.03  -0.02   0.00
    24   1    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.03   0.01   0.01
    25   1     0.02   0.01   0.00     0.03   0.02   0.00     0.00   0.01   0.00
    26   1     0.03  -0.02  -0.00     0.00   0.00  -0.02    -0.01   0.01   0.00
    27   1     0.00   0.00   0.00     0.00  -0.01  -0.00     0.00   0.01  -0.00
    28   6    -0.03   0.02  -0.00     0.02  -0.01   0.00    -0.02   0.02  -0.01
    29   7    -0.00   0.01   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00   0.01  -0.01     0.00  -0.00   0.01    -0.01  -0.02  -0.02
    31   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    32   1     0.16   0.46  -0.22    -0.04  -0.09   0.05    -0.03  -0.19   0.05
    33   1     0.42   0.15   0.32    -0.09  -0.03  -0.06    -0.15  -0.05  -0.11
    34   1     0.25  -0.11   0.19    -0.15   0.06  -0.12     0.19  -0.07   0.14
    35   1     0.11  -0.27  -0.16    -0.05   0.17   0.08     0.04  -0.23  -0.08
    36   1    -0.01   0.00  -0.02    -0.00   0.01   0.00     0.00  -0.01   0.02
    37   1     0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.01   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1504.1808              1504.5459              1504.6550
 Red. masses --      1.0781                 1.0812                 1.0803
 Frc consts  --      1.4372                 1.4420                 1.4410
 IR Inten    --     17.4289                 4.2720                 4.0652
 RamAct Fr= 1--      6.0304                 6.2788                10.0329
  Dep-P Fr= 1--      0.4745                 0.7223                 0.6046
  Dep-U Fr= 1--      0.6436                 0.8388                 0.7536
 Alpha2 Fr= 1--      0.0334                 0.0030                 0.0269
 Beta2  Fr= 1--      0.6469                 0.8777                 1.2602
 AlphaG Fr= 1--     -0.0546                 0.0420                 0.0866
 Gamma2 Fr= 1--     -3.6334                 3.0887                -2.2186
 Delta2 Fr= 1--     -2.1434                 1.8335                -0.2676
 Raman1 Fr= 1--      24.122                 25.115                 40.132
 ROA1   Fr= 1--    -417.390                355.186               -221.545
 CID1   Fr= 1--     -17.304                 14.142                 -5.520
 Raman2 Fr= 1--       7.763                 10.533                 15.122
 ROA2   Fr= 1--     -70.054                 59.460                -51.105
 CID2   Fr= 1--      -9.024                  5.645                 -3.380
 Raman3 Fr= 1--      15.525                 21.066                 30.244
 ROA3   Fr= 1--    -417.390                355.186               -221.545
 CID3   Fr= 1--     -26.885                 16.861                 -7.325
 RC180  Fr= 1--       0.287                  0.678                  0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01  -0.01    -0.02  -0.02  -0.01     0.01   0.01   0.01
     2   6     0.04   0.00  -0.03    -0.04  -0.00   0.03    -0.01   0.00   0.01
     3   7     0.01   0.00  -0.00    -0.01   0.00   0.00    -0.00  -0.00   0.00
     4  45    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     6   6     0.01  -0.00  -0.00     0.00   0.00  -0.00     0.06  -0.00  -0.04
     7   6     0.01  -0.01   0.01    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   7    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.01  -0.00     0.00   0.00   0.00
    10   7    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6    -0.02  -0.03  -0.01    -0.01  -0.01  -0.00    -0.01  -0.01   0.00
    12   1     0.04   0.15  -0.10    -0.01  -0.03   0.02     0.02   0.06  -0.04
    13   1    -0.17   0.06  -0.06     0.03  -0.00   0.02    -0.09   0.06   0.02
    14   1    -0.04  -0.03   0.03    -0.01  -0.01   0.01    -0.45  -0.35   0.34
    15   1    -0.04   0.04   0.01     0.00   0.01   0.01    -0.41   0.46   0.22
    16   1    -0.29   0.25   0.23     0.31  -0.27  -0.24     0.08  -0.06  -0.06
    17   1    -0.28  -0.30   0.16     0.32   0.32  -0.15     0.06   0.08  -0.05
    18   1    -0.02   0.13   0.08    -0.05   0.24   0.15     0.02  -0.12  -0.08
    19   1     0.13   0.01   0.09     0.28   0.10   0.07    -0.13  -0.02  -0.06
    20   1    -0.01  -0.01   0.00    -0.03  -0.02  -0.03     0.00   0.00   0.00
    21   1     0.00  -0.02   0.00    -0.00   0.05  -0.01    -0.00   0.00   0.00
    22   1     0.01   0.00  -0.01    -0.00   0.00   0.03     0.00   0.00  -0.00
    23   1    -0.01   0.01  -0.00     0.03  -0.02   0.01    -0.01   0.01  -0.00
    24   1    -0.01   0.00  -0.01    -0.01   0.01   0.01     0.01  -0.00  -0.03
    25   1    -0.01  -0.01  -0.00     0.01   0.01   0.00    -0.03  -0.02  -0.01
    26   1     0.02  -0.01   0.02     0.00  -0.00   0.00     0.01  -0.01   0.03
    27   1     0.00   0.02   0.00     0.00   0.00   0.00     0.01   0.05   0.01
    28   6     0.02  -0.03   0.01     0.03  -0.03   0.01    -0.00   0.01  -0.00
    29   7     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.00   0.00   0.00
    30   1     0.01   0.02   0.03     0.01   0.01   0.03    -0.01  -0.04  -0.01
    31   1    -0.02  -0.00   0.01    -0.02  -0.01   0.01     0.00   0.00  -0.00
    32   1     0.07   0.33  -0.10     0.01   0.11  -0.01     0.04   0.09  -0.06
    33   1     0.27   0.10   0.21     0.08   0.02   0.06     0.09   0.02   0.06
    34   1    -0.25   0.10  -0.19    -0.31   0.12  -0.23     0.04  -0.03   0.04
    35   1    -0.05   0.32   0.09    -0.09   0.37   0.15     0.02  -0.06  -0.02
    36   1    -0.01   0.04  -0.04     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    37   1     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1639.9358              1656.5006              1656.6707
 Red. masses --      1.0767                 1.0790                 1.0792
 Frc consts  --      1.7061                 1.7444                 1.7451
 IR Inten    --    124.8045                38.2782                17.6612
 RamAct Fr= 1--      0.2535                 4.4619                 8.3022
  Dep-P Fr= 1--      0.7500                 0.7497                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0362                 0.6373                 1.1860
 AlphaG Fr= 1--      0.0000                 0.0009                -0.0000
 Gamma2 Fr= 1--      0.1027                 1.9428                 5.0675
 Delta2 Fr= 1--      0.1115                 3.8029                 6.5049
 Raman1 Fr= 1--       1.014                 17.848                 33.209
 ROA1   Fr= 1--      13.422                308.200                694.640
 CID1   Fr= 1--      13.235                 17.268                 20.917
 Raman2 Fr= 1--       0.435                  7.647                 14.232
 ROA2   Fr= 1--       1.572                 16.204                 69.582
 CID2   Fr= 1--       3.617                  2.119                  4.889
 Raman3 Fr= 1--       0.869                 15.294                 28.465
 ROA3   Fr= 1--      13.422                308.200                694.640
 CID3   Fr= 1--      15.441                 20.151                 24.404
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.00   0.00   0.01
     2   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.01
     3   7    -0.02   0.01  -0.02     0.01  -0.01   0.01    -0.02   0.02  -0.02
     4  45    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.00   0.00   0.00    -0.03  -0.02  -0.03
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.01  -0.01
     7   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.01     0.00  -0.00   0.01
     8   7    -0.00  -0.03  -0.02    -0.00  -0.04  -0.03     0.00   0.01   0.01
     9   7    -0.00   0.02  -0.02     0.00  -0.03   0.02     0.00  -0.02   0.01
    10   7     0.01  -0.01  -0.03     0.01  -0.01  -0.03    -0.00   0.01   0.01
    11   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.00  -0.00   0.00
    12   1    -0.01   0.02   0.00    -0.02   0.00   0.02     0.01   0.02  -0.03
    13   1    -0.00  -0.00  -0.00     0.02  -0.01   0.00    -0.03   0.00  -0.01
    14   1     0.01  -0.00   0.00     0.01   0.01  -0.02     0.01  -0.02   0.02
    15   1    -0.01  -0.00  -0.00     0.01  -0.01  -0.01    -0.02   0.02   0.00
    16   1     0.01   0.00   0.00    -0.01   0.00   0.01     0.01   0.02   0.02
    17   1    -0.01   0.00  -0.00     0.00  -0.01   0.01    -0.02  -0.01  -0.00
    18   1    -0.01  -0.02   0.00     0.01   0.01  -0.01     0.02  -0.01  -0.03
    19   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.00  -0.01
    20   1    -0.06  -0.09   0.29     0.08   0.12  -0.36     0.04   0.06  -0.21
    21   1     0.13  -0.28   0.02    -0.15   0.36  -0.02    -0.09   0.21  -0.01
    22   1     0.08   0.01   0.23    -0.05  -0.00  -0.13     0.13   0.01   0.35
    23   1     0.13  -0.20   0.02    -0.09   0.10  -0.01     0.22  -0.31   0.04
    24   1     0.09  -0.01   0.24    -0.01   0.00  -0.03     0.15  -0.02   0.43
    25   1     0.14   0.20   0.02    -0.01  -0.03  -0.01     0.29   0.37   0.04
    26   1    -0.05   0.10   0.29    -0.08   0.14   0.41     0.01  -0.02  -0.09
    27   1     0.14   0.28   0.02     0.19   0.41   0.03    -0.04  -0.09  -0.01
    28   6     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.00   0.00   0.00
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.02    -0.01  -0.01   0.02
    30   1     0.09   0.03   0.29     0.08   0.04   0.26    -0.04  -0.02  -0.11
    31   1    -0.25   0.09   0.15    -0.23   0.08   0.14     0.09  -0.04  -0.06
    32   1     0.00  -0.00  -0.01    -0.01  -0.02   0.02    -0.00   0.00   0.01
    33   1     0.00   0.02   0.01    -0.03   0.01  -0.01    -0.01  -0.00  -0.00
    34   1     0.00  -0.01   0.01     0.03   0.01   0.01     0.01   0.01   0.00
    35   1     0.00   0.00  -0.01     0.01  -0.02  -0.02     0.00  -0.01   0.00
    36   1     0.09  -0.03   0.28    -0.06   0.03  -0.20    -0.07   0.04  -0.24
    37   1    -0.25  -0.08   0.15     0.18   0.05  -0.11     0.21   0.07  -0.12
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1658.5805              1668.9977              1671.3693
 Red. masses --      1.0784                 1.0770                 1.0763
 Frc consts  --      1.7478                 1.7676                 1.7714
 IR Inten    --      0.4562                29.4404                19.4499
 RamAct Fr= 1--      6.9397                 4.4345                 3.0910
  Dep-P Fr= 1--      0.7498                 0.7488                 0.7500
  Dep-U Fr= 1--      0.8570                 0.8564                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.9913                 0.6329                 0.4416
 AlphaG Fr= 1--      0.0020                -0.0010                 0.0000
 Gamma2 Fr= 1--    -14.8905                 5.8447                 4.5718
 Delta2 Fr= 1--     -6.4274                 0.9068                -0.0580
 Raman1 Fr= 1--      27.759                 17.738                 12.364
 ROA1   Fr= 1--   -1635.160                590.110                437.041
 CID1   Fr= 1--     -58.906                 33.268                 35.348
 Raman2 Fr= 1--      11.895                  7.595                  5.299
 ROA2   Fr= 1--    -305.952                133.019                110.188
 CID2   Fr= 1--     -25.721                 17.514                 20.795
 Raman3 Fr= 1--      23.790                 15.190                 10.598
 ROA3   Fr= 1--   -1635.160                590.110                437.041
 CID3   Fr= 1--     -68.732                 38.847                 41.240
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.01
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     3   7    -0.02   0.02  -0.02    -0.02   0.02  -0.03    -0.00   0.00  -0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7     0.02   0.01   0.02     0.02   0.02   0.02    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.01     0.00   0.00   0.01     0.00  -0.00  -0.01
     7   6    -0.00  -0.00  -0.01     0.00   0.00  -0.00     0.00   0.00   0.01
     8   7    -0.00  -0.02  -0.01     0.00   0.01   0.01     0.00   0.03   0.02
     9   7     0.00  -0.02   0.01    -0.00   0.01  -0.01     0.00  -0.03   0.02
    10   7    -0.01   0.01   0.03     0.01  -0.01  -0.03     0.01  -0.01  -0.03
    11   6    -0.01  -0.00   0.01     0.01   0.00  -0.01     0.00   0.00  -0.01
    12   1    -0.01  -0.00   0.02     0.00  -0.01   0.00     0.01  -0.01  -0.02
    13   1     0.01   0.01   0.01     0.00   0.01   0.01    -0.01   0.00  -0.00
    14   1     0.00   0.02  -0.02    -0.02   0.00  -0.01    -0.01  -0.01   0.02
    15   1     0.00  -0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.02   0.01
    16   1     0.00   0.02   0.03     0.02   0.01   0.01    -0.01   0.01   0.02
    17   1    -0.01  -0.02   0.02    -0.00  -0.00   0.00    -0.01  -0.02   0.01
    18   1     0.01  -0.00  -0.02     0.00  -0.01  -0.01     0.01   0.01  -0.02
    19   1    -0.01   0.01  -0.02    -0.01   0.01  -0.01    -0.01  -0.00  -0.00
    20   1     0.03   0.06  -0.23    -0.01  -0.03   0.10     0.06   0.10  -0.34
    21   1    -0.10   0.21  -0.02     0.04  -0.09   0.01    -0.14   0.33  -0.02
    22   1     0.09  -0.00   0.32     0.11  -0.00   0.38     0.00   0.00   0.01
    23   1     0.19  -0.28   0.03     0.23  -0.33   0.04     0.02   0.00  -0.00
    24   1    -0.06  -0.00  -0.26    -0.10  -0.00  -0.36     0.01  -0.00   0.02
    25   1    -0.16  -0.21  -0.03    -0.23  -0.30  -0.04     0.03   0.01   0.00
    26   1    -0.02   0.06   0.22     0.01  -0.04  -0.13     0.05  -0.10  -0.32
    27   1     0.10   0.20   0.01    -0.06  -0.12  -0.01    -0.14  -0.31  -0.02
    28   6     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.00  -0.00  -0.01
    29   7     0.01   0.01  -0.03    -0.01  -0.01   0.03     0.01   0.01  -0.03
    30   1    -0.10  -0.02  -0.32     0.09   0.04   0.28     0.10   0.03   0.32
    31   1     0.27  -0.09  -0.16    -0.23   0.09   0.14    -0.28   0.10   0.17
    32   1     0.01   0.02  -0.01    -0.01  -0.02   0.01     0.01   0.00  -0.01
    33   1     0.02  -0.01   0.00    -0.02   0.01  -0.00     0.01   0.02   0.01
    34   1    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.00  -0.02   0.01
    35   1    -0.01   0.02   0.01     0.00  -0.02  -0.01     0.01   0.00  -0.01
    36   1     0.09  -0.02   0.29    -0.08   0.04  -0.26     0.11  -0.03   0.35
    37   1    -0.25  -0.07   0.15     0.22   0.07  -0.14    -0.30  -0.09   0.18
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3068.8507              3070.7181              3071.1920
 Red. masses --      1.0636                 1.0634                 1.0632
 Frc consts  --      5.9015                 5.9076                 5.9083
 IR Inten    --      5.4920                 5.5694                 5.5354
 RamAct Fr= 1--    249.5251               215.8936               235.2042
  Dep-P Fr= 1--      0.0361                 0.0415                 0.0387
  Dep-U Fr= 1--      0.0697                 0.0796                 0.0745
 Alpha2 Fr= 1--      5.0940                 4.3519                 4.7724
 Beta2  Fr= 1--      2.8990                 2.8656                 2.9210
 AlphaG Fr= 1--     -0.9643                 0.2560                 0.2580
 Gamma2 Fr= 1--     -5.1729                 7.3786                 3.8227
 Delta2 Fr= 1--     -1.5723                 7.2960                 5.0984
 Raman1 Fr= 1--     998.101                863.574                940.817
 ROA1   Fr= 1--    -546.914                941.815                530.133
 CID1   Fr= 1--      -0.548                  1.091                  0.563
 Raman2 Fr= 1--      34.788                 34.388                 35.053
 ROA2   Fr= 1--    -111.572                118.718                 50.958
 CID2   Fr= 1--      -3.207                  3.452                  1.454
 Raman3 Fr= 1--      69.576                 68.775                 70.105
 ROA3   Fr= 1--    -546.914                941.815                530.133
 CID3   Fr= 1--      -7.861                 13.694                  7.562
 RC180  Fr= 1--      -0.861                 -0.841                 -0.851
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.03   0.03
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.04  -0.01  -0.04
     3   7     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04   0.01  -0.03    -0.00  -0.00   0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.04   0.03    -0.00   0.00  -0.00
     8   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     9   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.04  -0.03  -0.02    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.01   0.00   0.00    -0.36  -0.03  -0.12     0.00   0.00   0.00
    13   1    -0.01  -0.01   0.01     0.28   0.45  -0.27    -0.00  -0.01   0.00
    14   1     0.00  -0.01  -0.00    -0.13   0.33   0.10     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.01    -0.29  -0.44   0.27     0.01   0.01  -0.01
    16   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.17  -0.36   0.12
    17   1    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.29   0.49   0.29
    18   1    -0.00   0.00  -0.00    -0.01   0.00  -0.00    -0.32   0.04  -0.11
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.01     0.23  -0.42  -0.25
    20   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    21   1    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01   0.00
    23   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00   0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    28   6     0.04  -0.02   0.01     0.00  -0.00   0.00     0.00  -0.00  -0.00
    29   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    31   1    -0.00   0.00  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   1     0.46  -0.00   0.43     0.00   0.00   0.00    -0.02   0.00  -0.01
    33   1     0.04   0.30  -0.24     0.00   0.00  -0.00    -0.00  -0.01   0.01
    34   1    -0.02   0.26   0.21    -0.00   0.01   0.01    -0.00   0.00   0.00
    35   1    -0.42   0.02  -0.39    -0.02   0.00  -0.02    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3074.6836              3075.9126              3076.3064
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9062                 5.9112                 5.9126
 IR Inten    --      8.4237                 7.5395                 9.6992
 RamAct Fr= 1--     46.2570                41.4868                62.2606
  Dep-P Fr= 1--      0.7358                 0.7484                 0.7002
  Dep-U Fr= 1--      0.8478                 0.8561                 0.8237
 Alpha2 Fr= 1--      0.0112                 0.0011                 0.0540
 Beta2  Fr= 1--      6.5358                 5.9194                 8.5470
 AlphaG Fr= 1--     -0.0023                 0.0006                -0.0051
 Gamma2 Fr= 1--      8.1921                -4.9206                -6.4229
 Delta2 Fr= 1--      6.5860                -5.5150                -6.9675
 Raman1 Fr= 1--     185.028                165.947                249.042
 ROA1   Fr= 1--     997.191               -648.862               -839.558
 CID1   Fr= 1--       5.389                 -3.910                 -3.371
 Raman2 Fr= 1--      78.430                 71.033                102.564
 ROA2   Fr= 1--     143.922                -73.976                -98.409
 CID2   Fr= 1--       1.835                 -1.041                 -0.959
 Raman3 Fr= 1--     156.860                142.067                205.127
 ROA3   Fr= 1--     997.191               -648.862               -839.558
 CID3   Fr= 1--       6.357                 -4.567                 -4.093
 RC180  Fr= 1--       0.696                  0.712                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.01  -0.01    -0.02  -0.03  -0.04
     2   6    -0.00   0.00   0.00     0.01   0.00  -0.01     0.03   0.01  -0.03
     3   7    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.04  -0.01  -0.03    -0.01   0.00   0.01
     7   6    -0.00   0.00  -0.00    -0.02   0.03  -0.03     0.00  -0.01   0.01
     8   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   7     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   7    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6     0.03   0.03   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00     0.48   0.03   0.15    -0.09  -0.01  -0.03
    13   1    -0.01  -0.01   0.01    -0.22  -0.36   0.22     0.04   0.07  -0.04
    14   1     0.00  -0.00  -0.00    -0.19   0.44   0.14     0.03  -0.08  -0.02
    15   1     0.00   0.00  -0.00    -0.24  -0.37   0.23     0.04   0.07  -0.04
    16   1     0.00   0.01  -0.00    -0.03  -0.07   0.02    -0.19  -0.39   0.12
    17   1     0.01  -0.01  -0.01    -0.04   0.06   0.04    -0.19   0.33   0.20
    18   1     0.01  -0.00   0.00     0.09  -0.01   0.03     0.52  -0.05   0.17
    19   1    -0.01   0.01   0.01    -0.04   0.07   0.04    -0.23   0.40   0.24
    20   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    21   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    22   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00  -0.00    -0.00   0.01  -0.00    -0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    27   1    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.00
    28   6     0.04  -0.04   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    29   7    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.01   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    32   1    -0.35   0.00  -0.32     0.01  -0.00   0.01    -0.00   0.00  -0.00
    33   1    -0.05  -0.37   0.29     0.00   0.01  -0.00    -0.00   0.00  -0.00
    34   1    -0.03   0.40   0.32     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    35   1    -0.39   0.01  -0.36     0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1     0.01  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    37   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3115.5617              3116.3029              3116.5435
 Red. masses --      1.1071                 1.1076                 1.1078
 Frc consts  --      6.3315                 6.3376                 6.3394
 IR Inten    --      8.9964                10.0790                 4.5510
 RamAct Fr= 1--    169.3928               153.6623               179.9140
  Dep-P Fr= 1--      0.4333                 0.5798                 0.2267
  Dep-U Fr= 1--      0.6046                 0.7340                 0.3697
 Alpha2 Fr= 1--      1.1090                 0.4904                 2.2739
 Beta2  Fr= 1--     17.0699                18.7989                11.0844
 AlphaG Fr= 1--      0.0696                -0.2560                -1.2298
 Gamma2 Fr= 1--    -31.8134                -6.7353                65.2909
 Delta2 Fr= 1--    -23.5145               -23.9333                37.0983
 Raman1 Fr= 1--     677.571                614.649                719.656
 ROA1   Fr= 1--   -3806.547              -1412.458               7455.068
 CID1   Fr= 1--      -5.618                 -2.298                 10.359
 Raman2 Fr= 1--     204.839                225.587                133.013
 ROA2   Fr= 1--    -575.405                 29.818               1270.195
 CID2   Fr= 1--      -2.809                  0.132                  9.549
 Raman3 Fr= 1--     409.677                451.173                266.025
 ROA3   Fr= 1--   -3806.547              -1412.458               7455.068
 CID3   Fr= 1--      -9.292                 -3.131                 28.024
 RC180  Fr= 1--       0.209                  0.468                 -0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02   0.01  -0.00    -0.06   0.03  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.02   0.00    -0.01  -0.06   0.00
     3   7     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4  45     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.06   0.00     0.00  -0.02  -0.00
     7   6     0.00   0.00   0.00    -0.06  -0.02  -0.00     0.02   0.01   0.00
     8   7    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   7     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    11   6     0.02  -0.04   0.05     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.03  -0.00  -0.01     0.52   0.02   0.18    -0.20  -0.01  -0.07
    13   1    -0.01  -0.02   0.01     0.16   0.26  -0.17    -0.06  -0.10   0.06
    14   1    -0.01   0.03   0.01     0.22  -0.49  -0.17    -0.08   0.19   0.07
    15   1     0.01   0.02  -0.01    -0.17  -0.25   0.16     0.06   0.09  -0.06
    16   1     0.01   0.02  -0.01     0.09   0.19  -0.07     0.25   0.49  -0.17
    17   1    -0.01   0.01   0.01    -0.06   0.10   0.06    -0.16   0.26   0.17
    18   1     0.03  -0.00   0.01     0.19  -0.02   0.07     0.50  -0.04   0.18
    19   1     0.01  -0.01  -0.01     0.06  -0.10  -0.06     0.14  -0.27  -0.16
    20   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.00  -0.02  -0.00
    23   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    26   1    -0.00   0.00  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    28   6    -0.02  -0.04  -0.05    -0.00  -0.00  -0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    31   1     0.01  -0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    32   1    -0.27  -0.00  -0.24    -0.01  -0.00  -0.01     0.02   0.00   0.02
    33   1     0.08   0.48  -0.37     0.00   0.02  -0.02    -0.01  -0.03   0.03
    34   1    -0.06   0.47   0.36    -0.00   0.02   0.01     0.00  -0.03  -0.02
    35   1     0.26  -0.02   0.23     0.01  -0.00   0.01    -0.02   0.00  -0.02
    36   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    37   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3125.5685              3126.8136              3127.1841
 Red. masses --      1.1102                 1.1101                 1.1101
 Frc consts  --      6.3901                 6.3949                 6.3960
 IR Inten    --      4.5984                 2.6386                 3.6640
 RamAct Fr= 1--     56.6881                63.0517                51.5927
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      8.0981                 9.0072                 7.3704
 AlphaG Fr= 1--      0.0000                 0.0005                -0.0001
 Gamma2 Fr= 1--     35.1021               -41.4425               -34.1360
 Delta2 Fr= 1--      4.7257                -4.6798                -3.7153
 Raman1 Fr= 1--     226.752                252.207                206.371
 ROA1   Fr= 1--    3521.023              -4128.231              -3395.940
 CID1   Fr= 1--      15.528                -16.368                -16.456
 Raman2 Fr= 1--      97.177                108.086                 88.445
 ROA2   Fr= 1--     804.645               -957.181               -789.541
 CID2   Fr= 1--       8.280                 -8.856                 -8.927
 Raman3 Fr= 1--     194.354                216.173                176.889
 ROA3   Fr= 1--    3521.023              -4128.231              -3395.940
 CID3   Fr= 1--      18.117                -19.097                -19.198
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.06   0.04   0.01
     2   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00   0.07   0.01
     3   7    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.07   0.01    -0.00  -0.01   0.00
     7   6    -0.00  -0.00   0.00    -0.06  -0.03   0.01    -0.00  -0.00   0.00
     8   7     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     9   7    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    10   7     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6    -0.02   0.03  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
    12   1     0.02   0.00   0.01     0.46   0.02   0.16     0.04   0.00   0.01
    13   1     0.01   0.01  -0.01     0.23   0.38  -0.24     0.02   0.03  -0.02
    14   1    -0.01   0.02   0.01    -0.19   0.43   0.15    -0.02   0.04   0.01
    15   1     0.01   0.01  -0.01     0.24   0.36  -0.24     0.02   0.03  -0.02
    16   1    -0.01  -0.01   0.00     0.02   0.03  -0.01    -0.20  -0.41   0.14
    17   1     0.01  -0.01  -0.01    -0.02   0.03   0.02     0.22  -0.36  -0.23
    18   1     0.01  -0.00   0.00    -0.04   0.00  -0.01     0.46  -0.04   0.16
    19   1     0.01  -0.01  -0.01    -0.02   0.04   0.02     0.22  -0.41  -0.25
    20   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01   0.01   0.01
    21   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    22   1     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.02   0.01
    23   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00  -0.00   0.00    -0.00  -0.02   0.01     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    26   1     0.00  -0.00   0.00    -0.01  -0.01   0.01    -0.00  -0.00   0.00
    27   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.03  -0.03  -0.06     0.00   0.00   0.00     0.00   0.00   0.00
    29   7     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.01   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.36   0.00   0.32    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    33   1    -0.07  -0.39   0.30     0.00   0.01  -0.01     0.00   0.01  -0.01
    34   1    -0.05   0.40   0.31     0.00  -0.01  -0.01     0.00  -0.01  -0.01
    35   1     0.37  -0.02   0.33    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    36   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.01  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3430.7968              3431.9090              3432.9512
 Red. masses --      1.0521                 1.0524                 1.0525
 Frc consts  --      7.2965                 7.3032                 7.3084
 IR Inten    --     57.2342                43.1794                29.0205
 RamAct Fr= 1--      6.7710                40.5001                34.0447
  Dep-P Fr= 1--      0.7100                 0.2107                 0.1003
  Dep-U Fr= 1--      0.8304                 0.3481                 0.1823
 Alpha2 Fr= 1--      0.0047                 0.5345                 0.5956
 Beta2  Fr= 1--      0.9371                 2.3499                 1.0345
 AlphaG Fr= 1--      0.0011                 0.1335                 0.6460
 Gamma2 Fr= 1--      9.1292                 3.9533                 5.6057
 Delta2 Fr= 1--     -1.0468                 3.5878                -2.9111
 Raman1 Fr= 1--      27.084                162.000                136.179
 ROA1   Fr= 1--     842.908                494.329                444.989
 CID1   Fr= 1--      31.122                  3.051                  3.268
 Raman2 Fr= 1--      11.246                 28.199                 12.415
 ROA2   Fr= 1--     227.475                 66.177                157.824
 CID2   Fr= 1--      20.228                  2.347                 12.713
 Raman3 Fr= 1--      22.491                 56.397                 24.829
 ROA3   Fr= 1--     842.908                494.329                444.989
 CID3   Fr= 1--      37.477                  8.765                 17.922
 RC180  Fr= 1--       0.661                 -0.304                 -0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     3   7     0.00  -0.00   0.01    -0.01   0.02  -0.02     0.01  -0.02   0.02
     4  45    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.01  -0.01
     6   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   7    -0.02  -0.03  -0.03     0.01   0.02   0.02     0.01   0.02   0.01
     9   7    -0.01   0.03  -0.02    -0.01   0.02  -0.02    -0.01   0.01  -0.01
    10   7    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.01   0.00   0.03
    11   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    13   1     0.00   0.01  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    18   1     0.01  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    20   1     0.27  -0.38  -0.10     0.25  -0.35  -0.09     0.13  -0.18  -0.05
    21   1    -0.09   0.02   0.44    -0.08   0.02   0.41    -0.04   0.01   0.21
    22   1    -0.03   0.08   0.01     0.12  -0.27  -0.05    -0.16   0.39   0.07
    23   1    -0.00  -0.02  -0.08     0.01   0.06   0.28    -0.01  -0.08  -0.37
    24   1    -0.03  -0.06   0.01    -0.12  -0.25   0.05     0.05   0.10  -0.02
    25   1    -0.00   0.01  -0.06    -0.01   0.06  -0.26     0.00  -0.02   0.09
    26   1     0.32   0.42  -0.11    -0.23  -0.29   0.08    -0.17  -0.22   0.06
    27   1    -0.10  -0.02   0.49     0.07   0.01  -0.35     0.05   0.01  -0.25
    28   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.02
    30   1     0.03  -0.00  -0.01    -0.07   0.01   0.02     0.36  -0.06  -0.08
    31   1    -0.02   0.00  -0.03     0.04  -0.01   0.07    -0.23   0.05  -0.37
    32   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.01
    33   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    36   1     0.03   0.00  -0.01     0.08   0.01  -0.02    -0.17  -0.02   0.04
    37   1    -0.02  -0.00  -0.03    -0.05  -0.01  -0.08     0.11   0.02   0.17
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.1145              3433.9272              3434.9751
 Red. masses --      1.0525                 1.0528                 1.0527
 Frc consts  --      7.3087                 7.3146                 7.3180
 IR Inten    --    113.8432                10.1638                 0.2106
 RamAct Fr= 1--      4.0609                23.1255               431.0449
  Dep-P Fr= 1--      0.1555                 0.7210                 0.0100
  Dep-U Fr= 1--      0.2692                 0.8379                 0.0198
 Alpha2 Fr= 1--      0.0619                 0.0115                 9.3576
 Beta2  Fr= 1--      0.1822                 3.2295                 1.4222
 AlphaG Fr= 1--      0.0826                -0.0022                 0.5931
 Gamma2 Fr= 1--      1.5521                -5.0334               -15.7921
 Delta2 Fr= 1--     -0.5068                -0.3662                -1.5241
 Raman1 Fr= 1--      16.244                 92.502               1724.180
 ROA1   Fr= 1--     132.787               -494.927              -1564.815
 CID1   Fr= 1--       8.175                 -5.350                 -0.908
 Raman2 Fr= 1--       2.186                 38.754                 17.066
 ROA2   Fr= 1--      41.306               -117.873               -366.818
 CID2   Fr= 1--      18.891                 -3.042                -21.494
 Raman3 Fr= 1--       4.373                 77.507                 34.132
 ROA3   Fr= 1--     132.787               -494.927              -1564.815
 CID3   Fr= 1--      30.365                 -6.386                -45.846
 RC180  Fr= 1--      -0.462                  0.676                 -0.960
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   7    -0.01   0.01  -0.01     0.01  -0.02   0.02    -0.01   0.02  -0.02
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   7    -0.02  -0.02  -0.02     0.01   0.02   0.02     0.01   0.02   0.02
     6   6    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     9   7    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.01   0.01
    10   7     0.00  -0.00  -0.01     0.01  -0.00  -0.03    -0.01   0.00   0.03
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.00   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
    15   1     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   1     0.10  -0.14  -0.03    -0.01   0.02   0.00    -0.09   0.13   0.03
    21   1    -0.03   0.01   0.15     0.00  -0.00  -0.02     0.03  -0.01  -0.13
    22   1     0.10  -0.23  -0.04    -0.13   0.30   0.06     0.12  -0.28  -0.05
    23   1     0.01   0.05   0.22    -0.01  -0.06  -0.29     0.01   0.06   0.26
    24   1     0.20   0.42  -0.08    -0.14  -0.30   0.06    -0.15  -0.30   0.06
    25   1     0.01  -0.09   0.41    -0.01   0.07  -0.30    -0.01   0.06  -0.29
    26   1    -0.01  -0.01   0.00    -0.02  -0.02   0.01     0.09   0.12  -0.03
    27   1     0.00   0.00  -0.02     0.01   0.00  -0.02    -0.03  -0.00   0.12
    28   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    29   7     0.01   0.00  -0.03     0.01   0.00  -0.03     0.01   0.00  -0.03
    30   1    -0.15   0.02   0.04    -0.36   0.06   0.08     0.32  -0.05  -0.07
    31   1     0.10  -0.02   0.15     0.24  -0.05   0.37    -0.21   0.04  -0.32
    32   1     0.00   0.00   0.00     0.00   0.00   0.01    -0.00  -0.00  -0.01
    33   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01     0.00   0.00  -0.00
    34   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   1     0.00  -0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.01
    36   1    -0.38  -0.04   0.09    -0.32  -0.04   0.07    -0.34  -0.04   0.08
    37   1     0.25   0.04   0.38     0.21   0.03   0.32     0.22   0.03   0.34
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.6677              3480.9021              3481.4934
 Red. masses --      1.0931                 1.0930                 1.0929
 Frc consts  --      7.8024                 7.8026                 7.8049
 IR Inten    --      3.8485                27.7264                86.2970
 RamAct Fr= 1--     10.7166                 6.1429                 2.6800
  Dep-P Fr= 1--      0.7492                 0.6893                 0.6818
  Dep-U Fr= 1--      0.8566                 0.8161                 0.8108
 Alpha2 Fr= 1--      0.0002                 0.0065                 0.0032
 Beta2  Fr= 1--      1.5300                 0.8355                 0.3622
 AlphaG Fr= 1--     -0.0003                -0.0261                -0.0060
 Gamma2 Fr= 1--    -11.2944                 3.1323                -2.4247
 Delta2 Fr= 1--      6.7863                 2.2833                -1.1648
 Raman1 Fr= 1--      42.866                 24.572                 10.720
 ROA1   Fr= 1--    -867.104                373.769               -270.048
 CID1   Fr= 1--     -20.228                 15.211                -25.191
 Raman2 Fr= 1--      18.359                 10.026                  4.346
 ROA2   Fr= 1--    -325.357                 56.910                -48.874
 CID2   Fr= 1--     -17.722                  5.676                -11.246
 Raman3 Fr= 1--      36.719                 20.052                  8.692
 ROA3   Fr= 1--    -867.104                373.769               -270.048
 CID3   Fr= 1--     -23.615                 18.640                -31.069
 RC180  Fr= 1--       0.713                  0.632                  0.622
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     3   7     0.01  -0.03  -0.04     0.00  -0.01  -0.01    -0.01   0.02   0.03
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     5   7     0.01   0.02  -0.02    -0.01  -0.03   0.03    -0.01  -0.02   0.02
     6   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     8   7    -0.02  -0.02   0.04    -0.02  -0.02   0.03    -0.02  -0.02   0.03
     9   7    -0.01   0.01   0.02     0.03  -0.03  -0.04    -0.01   0.01   0.02
    10   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03   0.00  -0.01
    11   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    13   1     0.01   0.01  -0.01     0.00   0.01  -0.00     0.00   0.01  -0.00
    14   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    15   1    -0.00  -0.01   0.00     0.01   0.01  -0.01     0.00   0.01  -0.00
    16   1     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.01   0.01   0.01    -0.00   0.00   0.00     0.00  -0.01  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1     0.00  -0.01  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.00
    20   1     0.12  -0.17  -0.03    -0.29   0.40   0.08     0.11  -0.16  -0.03
    21   1     0.04  -0.00  -0.21    -0.09   0.01   0.52     0.04  -0.00  -0.22
    22   1    -0.16   0.39   0.05    -0.06   0.15   0.02     0.12  -0.28  -0.04
    23   1     0.02   0.08   0.46     0.01   0.03   0.16    -0.02  -0.06  -0.33
    24   1    -0.11  -0.22   0.03     0.14   0.30  -0.04     0.09   0.19  -0.03
    25   1     0.01  -0.05   0.27    -0.01   0.06  -0.35    -0.01   0.04  -0.24
    26   1     0.25   0.32  -0.06     0.17   0.22  -0.04     0.18   0.23  -0.05
    27   1     0.07   0.00  -0.44     0.05   0.00  -0.30     0.06   0.00  -0.33
    28   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    29   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.04  -0.01  -0.01
    30   1     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.26  -0.04  -0.07
    31   1     0.02  -0.00   0.03    -0.02   0.00  -0.03     0.11  -0.03   0.20
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.01  -0.00   0.01
    36   1     0.04   0.00  -0.01    -0.01  -0.00   0.00     0.38   0.04  -0.11
    37   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.17   0.03   0.29
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.9790              3482.5007              3482.6205
 Red. masses --      1.0926                 1.0926                 1.0926
 Frc consts  --      7.8051                 7.8068                 7.8075
 IR Inten    --      2.4113                33.8471                48.2990
 RamAct Fr= 1--     39.1325                64.4719                47.0475
  Dep-P Fr= 1--      0.6101                 0.7494                 0.7490
  Dep-U Fr= 1--      0.7578                 0.8568                 0.8565
 Alpha2 Fr= 1--      0.1007                 0.0006                 0.0008
 Beta2  Fr= 1--      4.9428                 9.2063                 6.7162
 AlphaG Fr= 1--     -0.0129                -0.0405                -0.0384
 Gamma2 Fr= 1--    -80.0632                56.2955                39.8881
 Delta2 Fr= 1--    -21.8147                 6.7974                 3.8604
 Raman1 Fr= 1--     156.530                257.888                188.190
 ROA1   Fr= 1--   -8384.139               5621.882               3952.787
 CID1   Fr= 1--     -53.563                 21.800                 21.004
 Raman2 Fr= 1--      59.313                110.475                 80.594
 ROA2   Fr= 1--   -1746.999               1296.712                926.431
 CID2   Fr= 1--     -29.454                 11.738                 11.495
 Raman3 Fr= 1--     118.626                220.950                161.188
 ROA3   Fr= 1--   -8384.139               5621.882               3952.787
 CID3   Fr= 1--     -70.677                 25.444                 24.523
 RC180  Fr= 1--       0.516                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   7     0.00  -0.01  -0.02     0.01  -0.03  -0.03    -0.00   0.00   0.00
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   7    -0.01  -0.02   0.03    -0.00  -0.01   0.01     0.01   0.03  -0.03
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   7     0.01   0.01  -0.01     0.02   0.02  -0.03     0.00   0.00  -0.00
     9   7    -0.01   0.01   0.02    -0.00  -0.00   0.00     0.02  -0.02  -0.03
    10   7    -0.05   0.01  -0.02    -0.00   0.00  -0.00    -0.05   0.01  -0.02
    11   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   1    -0.00   0.00   0.00    -0.01   0.01   0.00     0.00  -0.00  -0.00
    18   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    20   1     0.09  -0.13  -0.03     0.00   0.00   0.00    -0.18   0.26   0.05
    21   1     0.03  -0.00  -0.18     0.00  -0.00  -0.01    -0.06   0.00   0.35
    22   1    -0.07   0.17   0.02    -0.13   0.30   0.04     0.02  -0.05  -0.01
    23   1     0.01   0.04   0.21     0.02   0.06   0.37    -0.00  -0.01  -0.06
    24   1     0.12   0.26  -0.04     0.06   0.12  -0.02    -0.15  -0.31   0.04
    25   1    -0.01   0.05  -0.32    -0.01   0.02  -0.14     0.02  -0.07   0.40
    26   1    -0.07  -0.09   0.02    -0.19  -0.24   0.05    -0.03  -0.04   0.01
    27   1    -0.02  -0.00   0.12    -0.06  -0.00   0.34    -0.01   0.00   0.05
    28   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    29   7     0.04   0.00   0.01    -0.05  -0.01  -0.02    -0.01  -0.00  -0.00
    30   1     0.47  -0.07  -0.13     0.03  -0.00  -0.01     0.48  -0.07  -0.14
    31   1     0.20  -0.05   0.35     0.01  -0.00   0.02     0.21  -0.05   0.38
    32   1     0.01   0.00   0.01     0.00   0.00   0.00     0.01   0.00   0.01
    33   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    34   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    35   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    36   1    -0.35  -0.04   0.10     0.50   0.05  -0.14     0.10   0.01  -0.03
    37   1    -0.15  -0.03  -0.26     0.23   0.04   0.39     0.04   0.01   0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  7 and mass  14.00307
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2573.971562610.576283843.64264
           X            1.00000  -0.00052  -0.00033
           Y            0.00052   1.00000   0.00001
           Z            0.00033  -0.00001   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03365     0.03318     0.02253
 Rotational constants (GHZ):           0.70115     0.69132     0.46954
 Zero-point vibrational energy     925981.6 (Joules/Mol)
                                  221.31492 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    121.13   126.52   146.45   207.96   208.88
          (Kelvin)            234.63   309.72   313.44   318.79   359.51
                              417.78   435.00   441.07   474.88   477.00
                              576.66   578.43   581.77   662.68   667.75
                              724.59   768.36   782.28   804.18   979.22
                              987.22  1028.71  1068.34  1072.44  1104.84
                             1246.32  1246.42  1248.31  1250.17  1255.52
                             1257.55  1412.45  1414.40  1415.03  1436.63
                             1439.93  1451.24  1508.14  1509.04  1511.21
                             1599.42  1609.80  1610.51  1684.28  1686.57
                             1711.83  1760.29  1764.39  1790.93  1859.32
                             1859.77  1866.53  1915.67  1918.93  1928.42
                             1938.76  1940.42  1943.00  2020.98  2022.02
                             2024.24  2076.37  2078.80  2079.57  2162.32
                             2163.14  2163.80  2164.18  2164.71  2164.86
                             2359.50  2383.33  2383.58  2386.33  2401.32
                             2404.73  4415.39  4418.08  4418.76  4423.78
                             4425.55  4426.12  4482.60  4483.66  4484.01
                             4497.00  4498.79  4499.32  4936.15  4937.75
                             4939.25  4939.49  4940.66  4942.16  5007.90
                             5008.24  5009.09  5009.79  5010.54  5010.71
 
 Zero-point correction=                           0.352688 (Hartree/Particle)
 Thermal correction to Energy=                    0.367694
 Thermal correction to Enthalpy=                  0.368638
 Thermal correction to Gibbs Free Energy=         0.312213
 Sum of electronic and zero-point Energies=           -681.282782
 Sum of electronic and thermal Energies=              -681.267775
 Sum of electronic and thermal Enthalpies=            -681.266831
 Sum of electronic and thermal Free Energies=         -681.323256
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.732             60.537            118.757
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.624
 Vibrational            228.954             54.575             44.313
 Vibration     1          0.601              1.960              3.791
 Vibration     2          0.601              1.958              3.706
 Vibration     3          0.604              1.948              3.420
 Vibration     4          0.616              1.909              2.743
 Vibration     5          0.617              1.908              2.734
 Vibration     6          0.623              1.888              2.514
 Vibration     7          0.645              1.818              1.999
 Vibration     8          0.646              1.814              1.977
 Vibration     9          0.648              1.808              1.946
 Vibration    10          0.663              1.763              1.731
 Vibration    11          0.686              1.692              1.472
 Vibration    12          0.694              1.669              1.404
 Vibration    13          0.697              1.661              1.381
 Vibration    14          0.713              1.615              1.260
 Vibration    15          0.714              1.613              1.253
 Vibration    16          0.767              1.468              0.960
 Vibration    17          0.768              1.466              0.955
 Vibration    18          0.770              1.461              0.947
 Vibration    19          0.818              1.337              0.764
 Vibration    20          0.822              1.330              0.754
 Vibration    21          0.859              1.242              0.649
 Vibration    22          0.889              1.175              0.578
 Vibration    23          0.899              1.153              0.557
 Vibration    24          0.915              1.120              0.526
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.246609-143       -143.607991       -330.669620
 Total V=0       0.413979D+19         18.616978         42.867176
 Vib (Bot)       0.723990-158       -158.140268       -364.131423
 Vib (Bot)    1  0.244454D+01          0.388197          0.893857
 Vib (Bot)    2  0.233900D+01          0.369030          0.849723
 Vib (Bot)    3  0.201551D+01          0.304384          0.700871
 Vib (Bot)    4  0.140501D+01          0.147681          0.340047
 Vib (Bot)    5  0.139859D+01          0.145690          0.335465
 Vib (Bot)    6  0.123851D+01          0.092899          0.213909
 Vib (Bot)    7  0.920700D+00         -0.035882         -0.082621
 Vib (Bot)    8  0.908802D+00         -0.041531         -0.095628
 Vib (Bot)    9  0.892156D+00         -0.049559         -0.114114
 Vib (Bot)   10  0.781136D+00         -0.107274         -0.247006
 Vib (Bot)   11  0.658450D+00         -0.181477         -0.417866
 Vib (Bot)   12  0.628179D+00         -0.201916         -0.464930
 Vib (Bot)   13  0.618056D+00         -0.208972         -0.481176
 Vib (Bot)   14  0.566075D+00         -0.247126         -0.569028
 Vib (Bot)   15  0.563059D+00         -0.249446         -0.574371
 Vib (Bot)   16  0.444447D+00         -0.352180         -0.810925
 Vib (Bot)   17  0.442681D+00         -0.353909         -0.814906
 Vib (Bot)   18  0.439390D+00         -0.357150         -0.822369
 Vib (Bot)   19  0.369108D+00         -0.432847         -0.996667
 Vib (Bot)   20  0.365231D+00         -0.437432         -1.007225
 Vib (Bot)   21  0.325296D+00         -0.487721         -1.123019
 Vib (Bot)   22  0.298346D+00         -0.525279         -1.209500
 Vib (Bot)   23  0.290369D+00         -0.537050         -1.236604
 Vib (Bot)   24  0.278359D+00         -0.555395         -1.278844
 Vib (V=0)       0.121535D+05          4.084702          9.405373
 Vib (V=0)    1  0.299515D+01          0.476419          1.096994
 Vib (V=0)    2  0.289184D+01          0.461175          1.061894
 Vib (V=0)    3  0.257660D+01          0.411047          0.946471
 Vib (V=0)    4  0.199133D+01          0.299143          0.688803
 Vib (V=0)    5  0.198528D+01          0.297822          0.685760
 Vib (V=0)    6  0.183563D+01          0.263785          0.607387
 Vib (V=0)    7  0.154771D+01          0.189689          0.436774
 Vib (V=0)    8  0.153727D+01          0.186749          0.430005
 Vib (V=0)    9  0.152271D+01          0.182618          0.420494
 Vib (V=0)   10  0.142746D+01          0.154562          0.355893
 Vib (V=0)   11  0.132677D+01          0.122797          0.282751
 Vib (V=0)   12  0.130288D+01          0.114903          0.264574
 Vib (V=0)   13  0.129498D+01          0.112263          0.258495
 Vib (V=0)   14  0.125528D+01          0.098739          0.227355
 Vib (V=0)   15  0.125302D+01          0.097957          0.225555
 Vib (V=0)   16  0.116898D+01          0.067807          0.156131
 Vib (V=0)   17  0.116781D+01          0.067371          0.155128
 Vib (V=0)   18  0.116563D+01          0.066561          0.153262
 Vib (V=0)   19  0.112148D+01          0.049792          0.114651
 Vib (V=0)   20  0.111919D+01          0.048903          0.112603
 Vib (V=0)   21  0.109650D+01          0.040010          0.092127
 Vib (V=0)   22  0.108225D+01          0.034326          0.079039
 Vib (V=0)   23  0.107820D+01          0.032699          0.075292
 Vib (V=0)   24  0.107226D+01          0.030301          0.069770
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.181923D+07          6.259887         14.413923
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000006088    0.000012393   -0.000029127
      2        6          -0.000010412    0.000020222   -0.000034694
      3        7           0.000015876    0.000014806   -0.000008825
      4       45          -0.000147600    0.000110840    0.000102558
      5        7           0.000059605   -0.000019709   -0.000018586
      6        6           0.000014122   -0.000007460    0.000008579
      7        6           0.000002758    0.000001907   -0.000008789
      8        7           0.000029479   -0.000028418   -0.000008724
      9        7          -0.000000888   -0.000028104   -0.000013477
     10        7           0.000010204   -0.000014395    0.000052549
     11        6          -0.000007777   -0.000026181   -0.000004356
     12        1           0.000001921    0.000000267   -0.000006840
     13        1           0.000000492   -0.000007520    0.000003449
     14        1          -0.000002219    0.000001846   -0.000003140
     15        1          -0.000004731    0.000006858    0.000010442
     16        1           0.000002366   -0.000000071    0.000004905
     17        1          -0.000008382    0.000001925    0.000022934
     18        1          -0.000001403   -0.000000853    0.000006386
     19        1          -0.000012893    0.000022904    0.000006771
     20        1           0.000034521    0.000012632    0.000013881
     21        1           0.000013770   -0.000002426    0.000003623
     22        1           0.000008119    0.000021941   -0.000013458
     23        1          -0.000012768   -0.000006964   -0.000017925
     24        1           0.000008942   -0.000011910   -0.000009158
     25        1          -0.000000027   -0.000006176   -0.000006194
     26        1           0.000070267   -0.000031160    0.000022512
     27        1           0.000016582    0.000000349    0.000004700
     28        6           0.000000779   -0.000008409   -0.000004398
     29        7          -0.000017702    0.000033792   -0.000003405
     30        1          -0.000007599   -0.000007372   -0.000002012
     31        1          -0.000018064   -0.000004230   -0.000029566
     32        1          -0.000016680   -0.000003441   -0.000034098
     33        1          -0.000002897   -0.000000294   -0.000001814
     34        1           0.000001088   -0.000001170    0.000000741
     35        1          -0.000004516   -0.000015381    0.000006992
     36        1          -0.000001203   -0.000031990   -0.000012591
     37        1          -0.000007043    0.000000951    0.000000152
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000147600 RMS     0.000026321
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157472D+03 -0.266247D-02 -0.127888D-01
      2  -0.266247D-02  0.156294D+03 -0.106689D-02
      3  -0.127888D-01 -0.106689D-02  0.126011D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.331350D+01  0.125794D+00  0.194757D+01
      2   0.698630D-01  0.165045D+01 -0.354567D-01
      3   0.255484D+01 -0.992605D-01 -0.254055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.671318D+01 -0.103702D+03 -0.228210D+00
      2   0.684471D+01  0.110128D+03  0.209403D+00
      3  -0.131527D+00 -0.642645D+01  0.188074D-01
      4  -0.101053D+03  0.688596D+01 -0.511106D+01
      5  -0.196719D+00  0.151005D+01 -0.232019D+00
      6  -0.101086D+02  0.176633D+00 -0.965749D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.900735D+01  0.108536D+01  0.443448D+01 -0.821889D+00 -0.291117D+01
      2   0.108536D+01 -0.260055D+01  0.107320D+00 -0.291117D+01  0.753503D+00
      3   0.443448D+01  0.107320D+00  0.608854D+00 -0.661367D+00  0.228498D+01
                 6             7             8             9            10 
      1  -0.661367D+00  0.312397D+01 -0.401548D+00  0.719591D+00 -0.919607D+00
      2   0.228498D+01 -0.401548D+00  0.153441D+01  0.129694D+01  0.116710D+01
      3   0.103220D+01  0.719591D+00  0.129694D+01 -0.499065D+00 -0.264708D+01
                11            12            13            14            15 
      1   0.116710D+01 -0.264708D+01  0.258678D+01  0.596098D+01 -0.110568D+01
      2   0.449149D+01 -0.276496D+00  0.596098D+01  0.308545D+01 -0.382356D+01
      3  -0.276496D+00  0.939038D+00 -0.110568D+01 -0.382356D+01 -0.207080D+00
                16            17            18            19            20 
      1  -0.162447D+01 -0.386101D+00  0.129854D+01 -0.303470D+01 -0.439515D+01
      2  -0.386101D+00 -0.281751D+01 -0.208170D+00 -0.439515D+01 -0.676030D+01
      3   0.129854D+01 -0.208170D+00  0.580509D+00  0.355153D+01  0.271905D+01
                21            22            23            24            25 
      1   0.355153D+01 -0.205820D+01 -0.451298D+01  0.144133D+01  0.198533D+01
      2   0.271905D+01 -0.451298D+01 -0.301811D+01  0.291281D+01  0.134659D+01
      3  -0.144797D+01  0.144133D+01  0.291281D+01 -0.163245D+01 -0.123889D+01
                26            27            28            29            30 
      1   0.134659D+01 -0.123889D+01  0.122271D+00  0.218643D+01  0.100242D-02
      2   0.312912D+01 -0.195570D+01  0.218643D+01 -0.166537D+00 -0.175442D+01
      3  -0.195570D+01 -0.178325D+01  0.100242D-02 -0.175442D+01  0.144909D-02
                31            32            33            34            35 
      1   0.202444D+01 -0.148169D+00  0.204765D+01 -0.417769D-02 -0.679764D-01
      2  -0.148169D+00 -0.252338D+01  0.940027D-03 -0.679764D-01  0.424065D-02
      3   0.204765D+01  0.940027D-03  0.258274D+00  0.314030D-02  0.129518D+00
                36            37            38            39            40 
      1   0.314030D-02  0.258277D+01 -0.401026D+01 -0.336238D+01 -0.177425D+01
      2   0.129518D+00 -0.401026D+01  0.698232D+01  0.273279D+01  0.463054D+01
      3  -0.237073D-02 -0.336238D+01  0.273279D+01  0.137793D+01  0.145369D+01
                41            42            43            44            45 
      1   0.463054D+01  0.145369D+01 -0.187770D+01  0.128753D+01  0.114993D+01
      2  -0.372381D+01 -0.309954D+01  0.128753D+01 -0.325158D+01 -0.199758D+01
      3  -0.309954D+01 -0.168483D+01  0.114993D+01 -0.199758D+01  0.178755D+01
                46            47            48            49            50 
      1   0.111512D+01  0.671412D+00  0.258607D+01  0.202402D+01 -0.594676D+01
      2   0.671412D+00 -0.441834D+01 -0.219723D+00 -0.594676D+01  0.380266D+01
      3   0.258607D+01 -0.219723D+00 -0.950912D+00 -0.104593D+01  0.387821D+01
                51            52            53            54            55 
      1  -0.104593D+01  0.158995D+01 -0.325995D+00 -0.130513D+01 -0.891021D+01
      2   0.387821D+01 -0.325995D+00  0.284596D+01 -0.162709D+00  0.170216D+01
      3  -0.174452D+00 -0.130513D+01 -0.162709D+00 -0.578688D+00 -0.444710D+01
                56            57            58            59            60 
      1   0.170216D+01 -0.444710D+01 -0.196916D+00  0.289768D+01 -0.572651D+00
      2   0.250010D+01  0.198907D+00  0.289768D+01  0.387545D+00 -0.226345D+01
      3   0.198907D+00 -0.556472D+00 -0.572651D+00 -0.226345D+01  0.105846D+01
                61            62            63            64            65 
      1  -0.314402D+01 -0.333630D+00 -0.655903D+00  0.104859D+02 -0.169308D+01
      2  -0.333630D+00 -0.150330D+01  0.132959D+01 -0.169308D+01 -0.137395D+01
      3  -0.655903D+00  0.132959D+01  0.496692D+00  0.520942D+01 -0.610700D+00
                66            67            68            69            70 
      1   0.520942D+01 -0.487338D+01 -0.421527D+00 -0.198322D+01  0.413547D+01
      2  -0.610700D+00 -0.421527D+00 -0.696292D+00  0.169647D+01  0.208887D-01
      3   0.239607D+01 -0.198322D+01  0.169647D+01 -0.736050D+00  0.242402D+01
                71            72            73            74            75 
      1   0.208887D-01  0.242402D+01 -0.107900D+02 -0.115514D+01 -0.530942D+01
      2   0.112911D+01 -0.279158D+00 -0.115514D+01  0.146914D+01 -0.456098D+00
      3  -0.279158D+00 -0.173751D+01 -0.530942D+01 -0.456098D+00 -0.242329D+01
                76            77            78            79            80 
      1  -0.437362D+01  0.650532D+00 -0.183286D+01 -0.412495D+01  0.148911D+00
      2   0.650532D+00 -0.792179D+00 -0.159368D+01  0.148911D+00 -0.113512D+01
      3  -0.183286D+01 -0.159368D+01 -0.632089D+00 -0.243350D+01 -0.175336D+00
                81            82            83            84            85 
      1  -0.243350D+01 -0.482090D+00  0.182171D+01  0.898359D+00  0.270292D+01
      2  -0.175336D+00  0.182171D+01  0.188919D+01 -0.129405D+01  0.469021D+01
      3   0.173963D+01  0.898359D+00 -0.129405D+01  0.137335D+01 -0.208277D+01
                86            87            88            89            90 
      1   0.469021D+01 -0.208277D+01  0.259925D+00 -0.119683D+01  0.224494D+01
      2   0.938252D+01 -0.541062D+01 -0.119683D+01 -0.315550D+01  0.112122D+01
      3  -0.541062D+01  0.132161D+01  0.224494D+01  0.112122D+01  0.735287D+00
                91            92            93            94            95 
      1  -0.130851D+01 -0.509629D+00 -0.243877D+01 -0.803961D+00 -0.235441D+01
      2  -0.509629D+00 -0.284427D+00  0.598178D+00 -0.235441D+01 -0.501927D+01
      3  -0.243877D+01  0.598178D+00 -0.158211D+01  0.647191D+00  0.489568D+01
                96            97            98            99           100 
      1   0.647191D+00 -0.299856D+01  0.129411D+01 -0.219372D+01  0.115677D+02
      2   0.489568D+01  0.129411D+01  0.645801D+01 -0.205849D+01 -0.234897D+01
      3  -0.977602D+00 -0.219372D+01 -0.205849D+01  0.218216D+00  0.345201D+01
               101           102           103           104           105 
      1  -0.234897D+01  0.345201D+01  0.227861D+00  0.102157D+01  0.343752D+00
      2   0.141951D+01 -0.607566D+00  0.102157D+01 -0.868584D+00  0.689960D+00
      3  -0.607566D+00  0.219454D+01  0.343752D+00  0.689960D+00 -0.209748D+00
               106           107           108           109           110 
      1   0.327276D+01 -0.655358D+00  0.259818D+01 -0.369914D+00 -0.838268D+00
      2  -0.655358D+00  0.632722D+00 -0.805384D+00 -0.838268D+00 -0.144496D+01
      3   0.259818D+01 -0.805384D+00  0.166684D+01  0.102310D+01  0.538705D+00
               111           112           113           114           115 
      1   0.102310D+01 -0.102298D+01 -0.177456D+00  0.103353D+00  0.123381D+01
      2   0.538705D+00 -0.177456D+00 -0.450343D+01  0.217834D+01 -0.235859D+00
      3  -0.848136D+00  0.103353D+00  0.217834D+01 -0.220333D+01  0.545855D-01
               116           117           118           119           120 
      1  -0.235859D+00  0.545855D-01  0.377598D+01 -0.263489D+01 -0.125656D+01
      2   0.196561D+01 -0.180079D+01 -0.263489D+01  0.274878D+01  0.642385D+00
      3  -0.180079D+01  0.227651D+01 -0.125656D+01  0.642385D+00  0.109864D+01
               121           122           123           124           125 
      1  -0.424614D+01  0.492741D+01  0.155028D+01 -0.157262D+01  0.132474D+01
      2   0.492741D+01 -0.731251D+01 -0.259029D+01  0.132474D+01 -0.203667D+01
      3   0.155028D+01 -0.259029D+01 -0.172198D+01  0.176356D+01 -0.181849D+01
               126           127           128           129           130 
      1   0.176356D+01  0.323166D+01  0.946177D+00 -0.170013D+01  0.215206D+01
      2  -0.181849D+01  0.946177D+00  0.114966D+01 -0.447482D+00  0.150980D+01
      3  -0.143334D+01 -0.170013D+01 -0.447482D+00  0.157934D+01 -0.840027D+00
               131           132           133           134           135 
      1   0.150980D+01 -0.840027D+00 -0.204147D+01 -0.159860D+00  0.159995D+01
      2   0.192937D+01 -0.144311D+01 -0.159860D+00 -0.117767D+01  0.750986D+00
      3  -0.144311D+01  0.168372D+01  0.159995D+01  0.750986D+00 -0.217820D+01
               136           137           138           139           140 
      1  -0.420483D+01 -0.279654D+01  0.135556D+01 -0.450292D+01 -0.492459D+01
      2  -0.279654D+01 -0.281698D+01  0.697127D+00 -0.492459D+01 -0.675792D+01
      3   0.135556D+01  0.697127D+00 -0.117316D+01  0.160620D+01  0.249391D+01
               141           142           143           144           145 
      1   0.160620D+01  0.169352D+01  0.134341D+01 -0.184369D+01 -0.306503D+01
      2   0.249391D+01  0.134341D+01  0.192367D+01 -0.174305D+01  0.967453D+00
      3  -0.167463D+01 -0.184369D+01 -0.174305D+01  0.143655D+01  0.164329D+01
               146           147           148           149           150 
      1   0.967453D+00  0.164329D+01  0.216135D+01 -0.156009D+01 -0.848774D+00
      2  -0.114961D+01 -0.455940D+00 -0.156009D+01  0.211658D+01  0.149945D+01
      3  -0.455940D+00 -0.150407D+01 -0.848774D+00  0.149945D+01  0.174845D+01
               151           152           153           154           155 
      1   0.202696D+01 -0.195159D+00 -0.156404D+01 -0.117314D+02 -0.195197D+01
      2  -0.195159D+00  0.119258D+01  0.817695D+00 -0.195197D+01 -0.126887D+01
      3  -0.156404D+01  0.817695D+00  0.217085D+01 -0.346091D+01 -0.490255D+00
               156           157           158           159           160 
      1  -0.346091D+01  0.639769D+00 -0.982926D+00  0.461840D+00 -0.333307D+01
      2  -0.490255D+00 -0.982926D+00 -0.727114D+00 -0.684727D+00 -0.542316D+00
      3  -0.220392D+01  0.461840D+00 -0.684727D+00 -0.115636D+00 -0.263496D+01
               161           162           163           164           165 
      1  -0.542316D+00 -0.263496D+01  0.258274D+00 -0.789182D+00 -0.997965D+00
      2  -0.582836D+00 -0.694344D+00 -0.789182D+00  0.132207D+01  0.488195D+00
      3  -0.694344D+00 -0.167041D+01 -0.997965D+00  0.488195D+00  0.751324D+00
               166           167           168           169           170 
      1  -0.103621D+01  0.612271D-01  0.522650D-01 -0.125955D+01 -0.266481D+00
      2   0.612271D-01 -0.458110D+01 -0.220335D+01 -0.266481D+00 -0.194300D+01
      3   0.522650D-01 -0.220335D+01 -0.223662D+01 -0.132931D+00 -0.179510D+01
               171           172           173           174           175 
      1  -0.132931D+00 -0.246921D+01  0.176859D+01  0.711603D-01  0.383764D+01
      2  -0.179510D+01  0.176859D+01 -0.238926D+01  0.403543D+00 -0.140893D+01
      3  -0.227239D+01  0.711603D-01  0.403543D+00 -0.452484D+00  0.152242D+01
               176           177           178           179           180 
      1  -0.140893D+01  0.152242D+01  0.182764D+01  0.492680D+00  0.313828D+00
      2   0.348591D+01 -0.194519D+00  0.492680D+00  0.111245D+00  0.703632D+00
      3  -0.194519D+00  0.125822D+01  0.313828D+00  0.703632D+00 -0.198827D+00
               181           182           183           184           185 
      1   0.153902D+01  0.386342D+00  0.276415D+00 -0.101470D+00 -0.695999D+00
      2   0.386342D+00 -0.627773D+00  0.487255D-01 -0.695999D+00  0.106092D+00
      3   0.276415D+00  0.487255D-01  0.807162D+00  0.303234D-01 -0.798743D+00
               186           187           188           189           190 
      1   0.303234D-01 -0.205161D+01 -0.241142D+00 -0.148598D+01  0.155681D+01
      2  -0.798743D+00 -0.241142D+00 -0.108123D+01  0.695455D+00  0.593080D-01
      3   0.139899D+00 -0.148598D+01  0.695455D+00 -0.748487D+01 -0.693206D+00
               191           192           193           194           195 
      1   0.593080D-01 -0.693206D+00 -0.189388D+01  0.822211D+00 -0.272165D-01
      2   0.228625D+01 -0.112316D+01  0.822211D+00 -0.624327D+01  0.100355D+01
      3  -0.112316D+01  0.762571D+00 -0.272165D-01  0.100355D+01 -0.111960D+01
               196           197           198           199           200 
      1  -0.985700D+00 -0.998661D+00  0.699235D+00 -0.395726D+00  0.261948D+00
      2  -0.998661D+00 -0.824833D+00 -0.183304D+00  0.261948D+00  0.752358D+00
      3   0.699235D+00 -0.183304D+00  0.297477D+00  0.449454D+00 -0.402217D+00
               201           202           203           204           205 
      1   0.449454D+00  0.634012D+00  0.119953D+01 -0.506668D+00  0.152132D+01
      2  -0.402217D+00  0.119953D+01  0.222013D+00  0.838985D-01  0.564556D+00
      3   0.316758D+00 -0.506668D+00  0.838985D-01  0.665250D+00 -0.362253D+00
               206           207           208           209           210 
      1   0.564556D+00 -0.362253D+00 -0.164963D+01 -0.203378D-01  0.639207D+00
      2   0.150709D+01 -0.150776D+01 -0.203378D-01 -0.255842D+01 -0.119121D+01
      3  -0.150776D+01  0.733943D+01  0.639207D+00 -0.119121D+01 -0.809167D+00
               211           212           213           214           215 
      1  -0.190618D+01 -0.101346D+01 -0.989162D-01  0.901853D+00 -0.999429D+00
      2  -0.101346D+01 -0.605382D+01 -0.939571D+00 -0.999429D+00  0.923458D+00
      3  -0.989162D-01 -0.939571D+00 -0.108162D+01 -0.706082D+00 -0.150899D+00
               216           217           218           219           220 
      1  -0.706082D+00  0.438227D+00  0.156747D+00 -0.488622D+00  0.505783D+00
      2  -0.150899D+00  0.156747D+00 -0.758343D+00 -0.384324D+00 -0.121951D+01
      3  -0.292331D+00 -0.488622D+00 -0.384324D+00 -0.290697D+00 -0.486664D+00
               221           222           223           224           225 
      1  -0.121951D+01 -0.486664D+00 -0.147170D+01  0.564827D+00  0.292370D+00
      2   0.355783D+00 -0.471883D-01  0.564827D+00 -0.155993D+01 -0.153223D+01
      3  -0.471883D-01  0.667968D+00  0.292370D+00 -0.153223D+01 -0.733702D+01
               226           227           228           229           230 
      1   0.277864D+01  0.181618D+01  0.792105D-02  0.383434D+01  0.130950D+01
      2   0.181618D+01  0.238090D+01  0.410972D+00  0.130950D+01  0.327104D+01
      3   0.792105D-02  0.410972D+00  0.503740D+00  0.152690D+01  0.110242D+00
               231           232           233           234           235 
      1   0.152690D+01 -0.178131D+01  0.565209D+00 -0.283807D+00 -0.150036D+01
      2   0.110242D+00  0.565209D+00 -0.157343D+00  0.716621D+00  0.507551D+00
      3   0.123694D+01 -0.283807D+00  0.716621D+00  0.198629D+00 -0.270964D+00
               236           237           238           239           240 
      1   0.507551D+00 -0.270964D+00  0.219601D-01  0.680965D+00  0.754057D-01
      2   0.592778D+00  0.943151D-01  0.680965D+00  0.200521D-01  0.792743D+00
      3   0.943151D-01 -0.800462D+00  0.754057D-01  0.792743D+00  0.174123D+00
               241           242           243           244           245 
      1   0.202718D+01 -0.282400D+00  0.151376D+01  0.123674D+01 -0.458322D+00
      2  -0.282400D+00  0.110300D+01  0.630300D+00 -0.458322D+00  0.100078D+00
      3   0.151376D+01  0.630300D+00  0.748093D+01  0.248049D+01  0.268787D+00
               246           247           248           249           250 
      1   0.248049D+01 -0.660663D+00  0.218140D+01  0.321741D+00  0.309433D+01
      2   0.268787D+00  0.218140D+01 -0.523800D+01 -0.493690D+01  0.870813D+00
      3   0.153632D+01  0.321741D+00 -0.493690D+01 -0.104649D+01  0.209908D+01
               251           252           253           254           255 
      1   0.870813D+00  0.209908D+01  0.743426D+00  0.150444D+01 -0.104198D+01
      2  -0.655755D+01 -0.215227D+01  0.150444D+01 -0.159906D+01 -0.100087D+01
      3  -0.215227D+01 -0.218748D+00 -0.104198D+01 -0.100087D+01 -0.130800D+01
               256           257           258           259           260 
      1   0.226643D+01 -0.444198D+01 -0.179386D+01 -0.358540D+00 -0.103762D+01
      2  -0.444198D+01  0.985751D+01  0.554061D+01 -0.103762D+01  0.325862D+01
      3  -0.179386D+01  0.554061D+01  0.137424D+01 -0.219091D+01  0.121669D+01
               261           262           263           264           265 
      1  -0.219091D+01  0.556646D+01  0.757615D+00 -0.267311D+01 -0.229004D-01
      2   0.121669D+01  0.757615D+00  0.258593D+01 -0.645102D+00  0.118517D+00
      3  -0.733783D+00 -0.267311D+01 -0.645102D+00  0.208848D+01  0.464596D+00
               266           267           268           269           270 
      1   0.118517D+00  0.464596D+00 -0.171478D+01  0.214011D+00  0.119460D+01
      2  -0.111356D+01  0.705205D+00  0.214011D+00  0.450138D+00  0.476244D-02
      3   0.705205D+00 -0.422921D+00  0.119460D+01  0.476244D-02 -0.184729D+01
               271           272           273           274           275 
      1  -0.477993D+00 -0.616684D+00 -0.718657D+00  0.125897D+00 -0.942679D+00
      2  -0.616684D+00 -0.251479D+01  0.118184D+01 -0.942679D+00 -0.258801D+00
      3  -0.718657D+00  0.118184D+01 -0.212730D+01  0.446578D+00 -0.159842D+00
               276           277           278           279           280 
      1   0.446578D+00 -0.107515D+01 -0.106964D+00 -0.507004D+00  0.425844D+01
      2  -0.159842D+00 -0.106964D+00 -0.167245D+01  0.136367D+01  0.125446D+01
      3   0.487009D+00 -0.507004D+00  0.136367D+01 -0.587659D+01  0.166148D+01
               281           282           283           284           285 
      1   0.125446D+01  0.166148D+01  0.544358D+00  0.126572D+01  0.101156D+00
      2   0.213650D+01  0.428533D+00  0.126572D+01  0.996441D+00  0.300324D+00
      3   0.428533D+00  0.150337D+01  0.101156D+00  0.300324D+00  0.272359D+00
               286           287           288           289           290 
      1   0.268923D+01  0.498726D+00  0.181804D+01  0.102713D+01  0.179964D+01
      2   0.498726D+00  0.867722D+00  0.992137D+00  0.179964D+01  0.132471D+01
      3   0.181804D+01  0.992137D+00  0.219742D+01 -0.419104D+00 -0.586470D+00
               291           292           293           294           295 
      1  -0.419104D+00  0.155306D+01  0.190800D+01 -0.664594D+00 -0.435492D+00
      2  -0.586470D+00  0.190800D+01  0.983816D+01 -0.318698D+01 -0.147751D+01
      3   0.495914D+00 -0.664594D+00 -0.318698D+01  0.203783D+01  0.105754D+01
               296           297           298           299           300 
      1  -0.147751D+01  0.105754D+01 -0.805417D+00  0.171017D+01  0.368804D+00
      2  -0.565450D+01  0.336991D+01  0.171017D+01 -0.103926D+01 -0.461053D+00
      3   0.336991D+01 -0.262084D+01  0.368804D+00 -0.461053D+00 -0.404607D+00
               301           302           303           304           305 
      1   0.143734D+01 -0.161122D+01 -0.539411D+00  0.314585D+00 -0.124056D+01
      2  -0.161122D+01  0.100492D+02  0.323566D+01 -0.124056D+01  0.577388D+01
      3  -0.539411D+00  0.323566D+01  0.205670D+01 -0.906747D+00  0.341219D+01
               306           307           308           309           310 
      1  -0.906747D+00 -0.412235D+01  0.128864D+01 -0.163567D+01  0.618179D+00
      2   0.341219D+01  0.128864D+01 -0.219943D+01  0.489714D+00 -0.129994D+01
      3   0.261869D+01 -0.163567D+01  0.489714D+00 -0.148976D+01  0.159986D+00
               311           312           313           314           315 
      1  -0.129994D+01  0.159986D+00 -0.264150D+01  0.577633D+00 -0.177244D+01
      2   0.121005D+01 -0.326044D+00  0.577633D+00 -0.912979D+00  0.107101D+01
      3  -0.326044D+00  0.338448D+00 -0.177244D+01  0.107101D+01 -0.219741D+01
               316           317           318           319           320 
      1  -0.549077D+01  0.881067D+00  0.266184D+01  0.207381D+00 -0.207123D+00
      2   0.881067D+00 -0.270842D+01 -0.795336D+00 -0.207123D+00 -0.983068D+00
      3   0.266184D+01 -0.795336D+00 -0.210771D+01  0.315366D+00 -0.689525D+00
               321           322           323           324           325 
      1   0.315366D+00  0.173356D+01  0.116501D+00 -0.119547D+01  0.435888D+00
      2  -0.689525D+00  0.116501D+00 -0.462573D+00  0.596090D-01 -0.482087D+00
      3  -0.328622D+00 -0.119547D+01  0.596090D-01  0.185039D+01  0.790046D+00
               326           327           328           329           330 
      1  -0.482087D+00  0.790046D+00  0.189988D+00  0.945099D+00  0.418593D+00
      2   0.254749D+01  0.115337D+01  0.945099D+00 -0.455705D+00  0.886624D-01
      3   0.115337D+01  0.214537D+01  0.418593D+00  0.886624D-01  0.394066D+00
               331           332           333 
      1   0.106499D+01 -0.797229D-01  0.568567D+00
      2  -0.797229D-01  0.167600D+01  0.133885D+01
      3   0.568567D+00  0.133885D+01  0.587134D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.336444D+00  0.209275D+01 -0.310187D+01  0.313033D+01  0.582110D+01
      2   0.263293D+01 -0.802330D-01  0.997528D+01 -0.534849D+00 -0.124323D+02
      3  -0.280589D+01 -0.102770D+02 -0.166692D+01 -0.613891D+01  0.518362D+01
                 6             7             8             9            10 
      1  -0.259307D+01 -0.275300D+00 -0.777554D+00 -0.680332D+00 -0.408612D+01
      2  -0.345068D+01  0.251893D+01  0.900097D+00  0.153942D+00  0.100419D+02
      3   0.949442D+01 -0.124547D+01  0.103252D+02  0.343897D+01  0.407221D+01
                11            12            13            14            15 
      1   0.486036D+01 -0.100291D-01  0.469599D+01 -0.104812D+01 -0.779330D+01
      2  -0.400421D+01  0.444287D+01 -0.540430D+01 -0.440761D-01  0.628354D+01
      3   0.622262D+01  0.762938D+01  0.972273D+01 -0.611767D+01 -0.630701D+01
                16            17            18            19            20 
      1  -0.136406D+01 -0.139578D+01 -0.433968D+00 -0.270358D-01 -0.137618D+01
      2   0.166911D+01  0.711959D+00 -0.149110D+00 -0.135819D+02 -0.669353D+01
      3   0.825630D+01 -0.663524D+01 -0.327992D+01 -0.156527D+02 -0.129090D+02
                21            22            23            24            25 
      1   0.642694D+01  0.744382D+01  0.215708D+02 -0.538270D+01  0.129008D+02
      2   0.200582D+00 -0.324694D+01  0.472952D+01 -0.576849D+01 -0.119708D+02
      3   0.431837D+01  0.661387D+01  0.229417D+02 -0.776478D+01  0.312663D+01
                26            27            28            29            30 
      1   0.172955D+02 -0.211792D+02 -0.181349D+00 -0.373498D+01  0.344139D-01
      2  -0.110997D+02  0.123076D+02 -0.348149D+01  0.271447D+00 -0.833174D+00
      3  -0.167150D+01  0.590067D+00  0.751201D-02 -0.418553D-01 -0.432076D-01
                31            32            33            34            35 
      1  -0.190081D+01  0.204706D+00  0.130708D+01 -0.892321D-01 -0.171441D+01
      2   0.771644D-01  0.129598D+01  0.551329D-02  0.218174D+01  0.125293D+00
      3  -0.183301D+01 -0.227028D-01  0.144936D+01  0.471350D-01  0.754349D+00
                36            37            38            39            40 
      1   0.772285D-01 -0.317428D+00 -0.204335D+01 -0.659097D+01  0.667455D+01
      2  -0.405239D+00 -0.130735D+02  0.751981D+01  0.736623D+00  0.376632D+01
      3  -0.221211D-01  0.152191D+02 -0.145909D+02 -0.461759D+01  0.491599D+01
                41            42            43            44            45 
      1  -0.215966D+02 -0.483356D+01 -0.125640D+02  0.183752D+02  0.216485D+02
      2   0.518393D+01  0.596508D+01 -0.108807D+02  0.107722D+02  0.113139D+02
      3  -0.225758D+02 -0.755016D+01 -0.318647D+01 -0.143891D+01 -0.594282D+00
                46            47            48            49            50 
      1   0.495020D+01  0.485481D+01 -0.162392D+00  0.474598D+01  0.628900D+00
      2   0.102378D+02  0.334984D+01  0.418210D+01  0.473420D+01 -0.448306D+00
      3  -0.338775D+01  0.659009D+01 -0.790928D+01  0.101079D+02  0.539554D+01
                51            52            53            54            55 
      1  -0.806415D+01  0.136110D+01 -0.149579D+01  0.439435D+00  0.640254D+00
      2  -0.613689D+01  0.155623D+01 -0.727185D+00 -0.156864D+00  0.262564D+01
      3  -0.596939D+01 -0.853205D+01 -0.629309D+01  0.330265D+01  0.214432D+01
                56            57            58            59            60 
      1   0.178139D+01  0.339902D+01  0.285999D+01 -0.658482D+01 -0.258926D+01
      2  -0.646068D+00  0.996879D+01 -0.221691D+00 -0.121623D+02  0.314122D+01
      3  -0.105626D+02  0.208488D+01 -0.642873D+01 -0.443460D+01  0.941122D+01
                61            62            63            64            65 
      1   0.336845D+00 -0.828250D+00  0.671813D+00 -0.691268D+01 -0.996945D+01
      2   0.246162D+01 -0.959872D+00  0.109421D+00  0.186804D+02 -0.206864D+01
      3   0.170139D+01  0.102708D+02 -0.344876D+01  0.108011D+02  0.881345D+01
                66            67            68            69            70 
      1  -0.529175D+01 -0.169395D+02  0.275936D+01 -0.705235D+01 -0.269956D+01
      2   0.390570D+00  0.541366D+01  0.541763D+01  0.511014D+01 -0.262015D+02
      3   0.440836D+01  0.271046D+02 -0.293804D+01  0.756161D+01 -0.316405D+00
                71            72            73            74            75 
      1   0.229069D+01 -0.302124D+00  0.657547D+01 -0.102851D+02  0.503489D+01
      2   0.284643D+01 -0.251971D+02  0.183398D+02  0.198197D+01 -0.458844D-01
      3   0.397715D+01  0.786806D+00 -0.930063D+01  0.938270D+01 -0.411807D+01
                76            77            78            79            80 
      1  -0.176090D+02 -0.139244D+01 -0.750464D+01  0.171941D+01  0.208182D+01
      2  -0.515903D+01  0.568286D+01 -0.480622D+01 -0.263788D+02 -0.185553D+01
      3   0.277000D+02  0.142775D+01  0.776480D+01  0.384514D+00  0.397392D+01
                81            82            83            84            85 
      1  -0.773305D+00 -0.490006D+01  0.321173D+01  0.183906D+01  0.154685D+01
      2  -0.252018D+02 -0.143768D+02 -0.138249D+02  0.135265D+02 -0.476702D+01
      3  -0.801259D+00 -0.197500D+02 -0.222847D+02  0.144541D+02 -0.295683D+01
                86            87            88            89            90 
      1   0.142026D+02  0.372872D+01  0.823658D+01  0.229656D+02 -0.143854D+02
      2  -0.356894D-01 -0.396199D+01 -0.278435D+01 -0.135583D+02  0.114432D+02
      3   0.108992D+02  0.203854D+00  0.750884D+01 -0.158936D+01  0.277637D+01
                91            92            93            94            95 
      1   0.808309D+01  0.339143D+01  0.727203D+01  0.479862D+01 -0.894909D+01
      2  -0.203413D+01  0.101189D+01 -0.270761D+00 -0.581126D-01  0.257741D+01
      3  -0.739263D+01 -0.133626D+01 -0.617662D+01  0.499713D+01  0.118811D+01
                96            97            98            99           100 
      1  -0.545686D+01  0.559676D+01 -0.314807D+01  0.164225D+01  0.821343D+00
      2  -0.475511D+00 -0.356399D+01  0.404659D+00 -0.467823D+00 -0.373370D+01
      3  -0.735197D+01 -0.111809D+02 -0.769465D+01 -0.622183D+01 -0.810014D+01
               101           102           103           104           105 
      1   0.205621D+01  0.287525D+01 -0.396561D+00  0.114814D+01 -0.112005D+01
      2   0.176642D+01  0.465233D+01 -0.227753D+01  0.197610D+01 -0.170085D+01
      3  -0.404386D+01 -0.343889D+01 -0.585089D+00 -0.397541D+00 -0.175739D+01
               106           107           108           109           110 
      1   0.208623D+01  0.106451D+01  0.141205D+01  0.141421D+01 -0.145130D+01
      2   0.210515D+01 -0.464537D+00  0.247664D+01  0.495435D+01  0.238394D+01
      3  -0.133375D+01 -0.286591D+01 -0.100063D+01  0.539466D+01  0.569524D+01
               111           112           113           114           115 
      1  -0.192451D+01 -0.329326D+00 -0.143109D+01 -0.305958D+01 -0.308581D+00
      2  -0.367412D+01  0.150340D+01  0.678015D+01 -0.647501D+01 -0.326048D+01
      3  -0.361905D+01  0.493549D+01  0.131213D+02 -0.667262D+01 -0.178157D+01
               116           117           118           119           120 
      1   0.151183D+00  0.222369D+01 -0.801047D+00 -0.235000D+00  0.217405D+01
      2  -0.499329D+01  0.614742D+01 -0.103415D+01  0.684593D+00  0.369266D+01
      3  -0.555514D+01  0.585249D+01  0.238110D+00 -0.375501D+01  0.449200D-01
               121           122           123           124           125 
      1  -0.291546D+01  0.302992D+01 -0.232195D+01  0.125571D+01 -0.490082D+00
      2  -0.336994D+01 -0.220633D+00 -0.347550D+01  0.847015D+00 -0.287320D+01
      3  -0.295818D+00  0.897130D+01  0.385228D+01  0.183864D+01  0.245291D+01
               126           127           128           129           130 
      1  -0.143889D+01 -0.441023D+01 -0.180634D+01  0.281457D+01 -0.291005D+01
      2  -0.218732D+01 -0.230848D+01  0.240478D+00  0.379144D+01  0.856014D+00
      3   0.100570D+01 -0.768363D+01 -0.625169D+01  0.446430D+01 -0.684905D+01
               131           132           133           134           135 
      1  -0.583389D+01  0.387541D+01  0.275405D+01  0.442925D+01 -0.432666D+01
      2  -0.340266D+01  0.563357D+01  0.127457D+01  0.258177D+01 -0.490006D+01
      3  -0.112958D+02  0.610531D+01  0.415639D+01  0.434217D+01 -0.584157D+01
               136           137           138           139           140 
      1   0.618271D+00 -0.421079D+00 -0.210353D+01 -0.292799D+01 -0.289826D+01
      2  -0.946430D+00 -0.639807D+00  0.393844D+01  0.353478D+01 -0.212141D+00
      3  -0.426918D+00 -0.412629D+01  0.122919D+00 -0.670957D+00 -0.877356D+01
               141           142           143           144           145 
      1  -0.207904D+01 -0.122984D+01 -0.308831D+00  0.134404D+01  0.410068D+01
      2   0.340776D+01  0.102236D+01  0.285030D+01 -0.225174D+01 -0.253271D+01
      3   0.385271D+01 -0.172982D+01  0.253243D+01 -0.101036D+01  0.713232D+01
               146           147           148           149           150 
      1  -0.176614D+01 -0.248228D+01 -0.287808D+01  0.588716D+01  0.372922D+01
      2  -0.211570D+00  0.366480D+01 -0.777188D+00 -0.360532D+01 -0.595101D+01
      3  -0.610968D+01 -0.419378D+01 -0.668293D+01  0.118761D+02  0.629115D+01
               151           152           153           154           155 
      1  -0.250267D+01  0.442394D+01  0.409279D+01 -0.909626D+00  0.197045D+01
      2   0.126879D+01 -0.282845D+01 -0.506838D+01 -0.364971D+01 -0.160486D+01
      3  -0.395634D+01  0.452627D+01  0.583463D+01  0.787537D+01 -0.436187D+01
               156           157           158           159           160 
      1  -0.271880D+01 -0.308624D+00 -0.113446D+01 -0.930064D+00 -0.194040D+01
      2   0.485024D+01  0.253940D+01  0.199821D+01  0.154156D+01  0.220770D+01
      3   0.335931D+01 -0.899942D+00  0.602259D+00 -0.190504D+01  0.120365D+01
               161           162           163           164           165 
      1   0.117235D+01 -0.130680D+01 -0.127008D+01 -0.142612D+01  0.164156D+01
      2   0.321510D+00  0.254599D+01  0.486971D+01 -0.225425D+01 -0.346853D+01
      3  -0.292610D+01  0.100084D+01 -0.498432D+01  0.536530D+01  0.333691D+01
               166           167           168           169           170 
      1  -0.262371D+00  0.181231D+01 -0.285879D+01  0.184485D+00  0.359102D+00
      2  -0.143748D+01  0.688307D+01  0.675785D+01 -0.306022D+01  0.511391D+01
      3   0.462329D+01 -0.135974D+02 -0.682953D+01  0.154866D+01 -0.562238D+01
               171           172           173           174           175 
      1  -0.195481D+01 -0.216486D+01  0.288121D+01 -0.200087D+00  0.454134D+01
      2   0.622299D+01 -0.172121D+01  0.184264D+01  0.193957D+01  0.549208D+01
      3  -0.584578D+01  0.281123D+01 -0.497028D+01  0.286259D+00 -0.426201D+01
               176           177           178           179           180 
      1  -0.758821D+01  0.273519D+00  0.149903D+01 -0.619657D+00 -0.319522D+00
      2  -0.164727D+01  0.194124D+00  0.386937D+01 -0.108719D+01  0.916761D+00
      3   0.103964D+02 -0.149738D+01 -0.785844D+00  0.214642D+01  0.489079D+00
               181           182           183           184           185 
      1  -0.213753D+01 -0.796893D+00 -0.980266D+00  0.359196D-01 -0.643398D+00
      2   0.111380D+00  0.814370D+00 -0.357151D+01 -0.695881D+00  0.189475D+01
      3   0.170930D+01  0.197580D-01  0.428006D+00  0.661961D+00  0.640042D+00
               186           187           188           189           190 
      1   0.755746D+00  0.103583D+01  0.279709D+01 -0.488924D+00  0.663257D+00
      2  -0.523424D+00  0.272742D+00 -0.241984D+01  0.162905D+02 -0.306308D+01
      3  -0.169765D+01 -0.142023D+01 -0.248064D+01  0.171838D+01 -0.386821D+01
               191           192           193           194           195 
      1   0.494057D+01 -0.102004D+01  0.117836D+01 -0.737250D+01 -0.117349D+01
      2   0.219887D+01  0.117394D+00  0.275267D+01 -0.333693D+01  0.136955D+01
      3   0.504415D+01 -0.175925D+01  0.548755D+01 -0.917897D+01  0.141156D+01
               196           197           198           199           200 
      1  -0.869107D+00 -0.362844D+01  0.200995D+00  0.382402D+00 -0.146071D+01
      2  -0.196724D-01  0.816181D+00 -0.724861D+00 -0.172252D+01  0.440105D+00
      3   0.100169D+01 -0.140642D+01 -0.639600D+00 -0.114125D+01 -0.104480D+01
               201           202           203           204           205 
      1   0.143071D+01 -0.916255D+00 -0.270232D+00  0.307420D+01 -0.266456D+00
      2  -0.116699D+01 -0.915851D+00 -0.139986D+01 -0.588105D+00 -0.307913D+01
      3  -0.121723D+01 -0.388350D+00 -0.118411D+01  0.130630D+01 -0.282914D+01
               206           207           208           209           210 
      1  -0.981135D+00  0.133918D+02 -0.510508D+00  0.518844D+01  0.950616D+00
      2   0.135626D+01 -0.929093D+01 -0.329368D+01 -0.242242D+01  0.332156D-01
      3   0.120915D+00 -0.149384D+01  0.439540D+01  0.524024D+01  0.180257D+01
               211           212           213           214           215 
      1   0.139591D+01  0.693867D+01 -0.128593D+01  0.711084D+00 -0.371994D+01
      2  -0.281764D+01 -0.341753D+01 -0.131812D+01 -0.675877D-01 -0.647267D+00
      3   0.571779D+01  0.871179D+01  0.132235D+01 -0.107217D+01 -0.136730D+01
               216           217           218           219           220 
      1  -0.232837D+00 -0.558594D+00 -0.145565D+01 -0.135125D+01 -0.835570D+00
      2  -0.718572D+00 -0.167999D+01 -0.367536D+00 -0.108473D+01  0.966226D+00
      3   0.634688D+00  0.108425D+01 -0.103846D+01  0.127813D+01 -0.383309D+00
               221           222           223           224           225 
      1   0.313231D+00  0.313145D+01  0.854247D-01 -0.107716D+01 -0.137801D+02
      2  -0.143852D+01  0.491889D+00 -0.312833D+01 -0.118875D+01 -0.869478D+01
      3   0.125027D+01  0.124958D+01  0.283159D+01  0.870593D-03  0.151214D+01
               226           227           228           229           230 
      1   0.235771D+01  0.305262D+01  0.253361D+00  0.451079D+01  0.721484D+01
      2  -0.211136D+01 -0.200194D+01  0.195323D+01 -0.566076D+01 -0.167401D+01
      3  -0.315845D+01 -0.530810D+01 -0.296581D+00 -0.456514D+01 -0.100186D+02
               231           232           233           234           235 
      1   0.243667D+00 -0.136383D+01 -0.500672D+00  0.345660D+00  0.209299D+01
      2  -0.267742D+00  0.397858D+01  0.944483D+00  0.909172D+00  0.213350D-01
      3  -0.146177D+01  0.898099D+00  0.211412D+01 -0.484070D+00 -0.167263D+01
               236           237           238           239           240 
      1  -0.884290D+00  0.861815D+00  0.218259D-02  0.758480D+00  0.739506D+00
      2  -0.690928D+00 -0.358465D+01  0.782720D+00  0.186911D+01  0.643477D+00
      3   0.661784D-01 -0.501762D+00  0.709276D+00 -0.665798D+00 -0.167809D+01
               241           242           243           244           245 
      1  -0.899057D+00  0.293108D+01  0.118782D+01 -0.777659D+01  0.408664D+01
      2   0.426037D+00  0.227916D+01  0.162459D+02 -0.171655D+01 -0.986210D+00
      3   0.131428D+01 -0.254121D+01 -0.171322D+01  0.755057D+01 -0.172976D+01
               246           247           248           249           250 
      1  -0.751344D+01  0.553436D+01  0.866100D+01 -0.509732D+01 -0.588019D+01
      2   0.842390D-01  0.179390D-01  0.222332D+01  0.708595D+00 -0.332148D+01
      3   0.584837D+01  0.461124D+01 -0.133401D+01 -0.761307D+01  0.108311D+02
               251           252           253           254           255 
      1  -0.289854D+01 -0.165153D+01  0.446307D+01  0.299485D+01 -0.107106D+01
      2  -0.117377D+00 -0.390022D+00 -0.137022D+02  0.142670D+02  0.137225D+02
      3  -0.819517D+01  0.621654D+01  0.185492D+02 -0.235576D+02 -0.144050D+02
               256           257           258           259           260 
      1   0.902685D+00 -0.144027D+02  0.395699D+01 -0.731727D+01  0.238737D+02
      2   0.530872D+01 -0.247653D+00  0.317618D+01 -0.188017D+01  0.126072D+02
      3  -0.423591D+01 -0.973249D+01  0.854297D+00 -0.753032D+01 -0.124726D+01
               261           262           263           264           265 
      1   0.148368D+02  0.547890D+01 -0.342744D+01 -0.385646D+01 -0.179667D+01
      2   0.107684D+02  0.732652D+01  0.708524D+00 -0.162131D+01 -0.240255D+01
      3  -0.275728D+01  0.125888D+02 -0.285607D+01 -0.565972D+01 -0.344104D+01
               266           267           268           269           270 
      1   0.274588D+01  0.114801D-01 -0.322293D+01  0.119798D+01  0.297099D+01
      2  -0.103971D+01  0.872791D+00 -0.835039D+00  0.278491D+00  0.352633D+00
      3   0.186906D+01  0.182669D+01 -0.261239D+01 -0.907446D-01  0.311633D+01
               271           272           273           274           275 
      1   0.129722D+01  0.749499D+00  0.396964D+01 -0.612617D+00  0.223057D+00
      2  -0.134797D+01  0.334348D+01 -0.509370D+01  0.135133D+01  0.634546D+00
      3  -0.414727D+00  0.309875D+01 -0.334229D+01  0.192998D+01  0.107536D+01
               276           277           278           279           280 
      1  -0.368585D+00  0.807099D+00  0.172655D+00  0.942638D+01 -0.687011D+01
      2  -0.261136D+00 -0.276956D+01  0.225194D+01 -0.830224D+01  0.255672D+01
      3   0.304956D+00 -0.130967D+01  0.210328D+01 -0.248197D+01  0.142911D+02
               281           282           283           284           285 
      1  -0.147203D+01 -0.549553D+01 -0.502537D+00 -0.125647D+01 -0.847105D+00
      2   0.570958D+00  0.359847D+01  0.771287D-01  0.506267D+00  0.913198D-01
      3  -0.676298D+00  0.586423D+01 -0.310695D-01  0.477864D+01 -0.285132D+00
               286           287           288           289           290 
      1  -0.644824D+01 -0.925817D+00 -0.882310D+01  0.694925D-01  0.265987D+00
      2   0.134861D+01  0.139484D+01  0.340191D+01  0.180477D+00  0.371066D+00
      3   0.980051D+01 -0.255458D+00  0.514059D+01  0.213602D+01  0.375321D+01
               291           292           293           294           295 
      1  -0.176334D+01  0.158980D+01  0.345786D+01 -0.690476D+01 -0.137869D+01
      2   0.733701D+00  0.249176D+00 -0.170755D+01  0.169857D+01 -0.805286D+00
      3  -0.111475D+01  0.501874D+01 -0.313323D+01  0.202083D+00 -0.693941D+00
               296           297           298           299           300 
      1  -0.132768D+01  0.674300D+01  0.115610D-01  0.896528D-01  0.148180D+01
      2   0.156250D+01 -0.170391D+01  0.149722D+00 -0.457545D+00  0.591129D+00
      3   0.411343D+01  0.210745D+00 -0.173765D+01  0.397193D+01  0.112358D+01
               301           302           303           304           305 
      1   0.142097D+01 -0.360493D+01 -0.704691D+01  0.128000D+01 -0.145815D+01
      2  -0.393981D+00 -0.151651D+01 -0.141832D+01 -0.929453D+00 -0.146120D+01
      3   0.523619D+01  0.273402D+01  0.149984D+00  0.875244D+00  0.407710D+01
               306           307           308           309           310 
      1  -0.681075D+01  0.687453D+01 -0.175408D+01  0.560464D+01 -0.751204D+00
      2  -0.140295D+01  0.222221D+01 -0.585088D+00  0.334141D+01 -0.128254D+00
      3  -0.212462D+00 -0.143076D+02 -0.242399D+00 -0.586876D+01  0.402479D+00
               311           312           313           314           315 
      1   0.137527D+01 -0.110487D+01  0.644624D+01 -0.127122D+01  0.896012D+01
      2   0.473776D+00 -0.206085D+00  0.998148D+00 -0.139545D+01  0.300585D+01
      3  -0.476173D+01 -0.248418D-01 -0.979607D+01  0.185906D+00 -0.513955D+01
               316           317           318           319           320 
      1  -0.537213D+01 -0.334160D+01  0.377765D+01 -0.158099D+01 -0.256642D+01
      2   0.761930D+01 -0.944380D+00 -0.182869D+01  0.209200D+01 -0.990957D+00
      3  -0.128470D+02 -0.236650D+01  0.574615D+01 -0.296234D+01 -0.161554D+01
               321           322           323           324           325 
      1  -0.192172D+00  0.323010D+01  0.103859D+01 -0.295878D+01 -0.135224D+01
      2  -0.793882D+00 -0.100402D+01 -0.297221D+00  0.474129D+00 -0.146838D+01
      3   0.158330D+01  0.261477D+01 -0.198596D+00 -0.311238D+01  0.633047D+00
               326           327           328           329           330 
      1   0.639162D+00 -0.420441D+01 -0.625234D+00 -0.179373D+00 -0.165882D+00
      2  -0.328348D+01 -0.488467D+01 -0.124593D+01  0.853343D+00  0.486236D+00
      3   0.302112D+01  0.334800D+01  0.185252D+01 -0.128669D+01  0.159100D+00
               331           332           333 
      1  -0.908842D+00  0.103355D+00 -0.976845D+01
      2  -0.280438D+01 -0.214297D+01 -0.786361D+01
      3   0.137306D+01  0.205787D+01  0.247388D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.456602D+02 -0.787676D+01 -0.258840D+02 -0.250300D+01  0.185706D+02
      2   0.290672D+02  0.932728D+01  0.142438D+02  0.621619D+01 -0.951603D+01
      3   0.165930D+02 -0.145052D+01  0.116402D+02 -0.371319D+01 -0.905453D+01
      4  -0.192931D+02  0.868981D+01 -0.941274D+01  0.112453D+02  0.548232D+01
      5  -0.292797D+02 -0.251459D+01 -0.589763D+01  0.349620D+01 -0.885103D+01
      6  -0.811238D+01  0.584822D+01 -0.123581D+00  0.418080D+01 -0.956772D+01
                 6             7             8             9            10 
      1   0.752343D+01 -0.195608D+02  0.616541D+01 -0.976760D+00  0.101179D+02
      2  -0.997703D+01  0.113144D+02 -0.816599D+01 -0.353375D+01 -0.693348D+01
      3   0.245359D+01  0.824645D+01  0.200059D+01  0.451051D+01 -0.318438D+01
      4  -0.860508D+01 -0.424075D+01 -0.601158D+01 -0.437483D+01 -0.201032D+01
      5  -0.486478D+01 -0.680748D+01 -0.380351D+01  0.341160D+01  0.119160D+02
      6  -0.966099D+01 -0.275209D+00 -0.779870D+01  0.333792D-01  0.916911D+01
                11            12            13            14            15 
      1   0.189493D+01  0.145585D+02  0.121291D+00 -0.180747D+02 -0.257815D+01
      2  -0.109474D+02 -0.570541D+01 -0.118194D+02  0.425510D+01  0.104870D+02
      3   0.905243D+01 -0.885308D+01  0.116981D+02  0.138196D+02 -0.790886D+01
      4  -0.238501D+02  0.760511D+01 -0.294976D+02 -0.260119D+02  0.198085D+02
      5   0.251739D+00 -0.955890D+01  0.219151D+01  0.223058D+02  0.380347D+01
      6   0.522659D+01 -0.994006D+00  0.111342D+02  0.128027D+02 -0.316408D+01
                16            17            18            19            20 
      1   0.953353D+01 -0.449135D+01 -0.590854D+01  0.145344D+01  0.366669D+01
      2  -0.294611D+01  0.986416D+01  0.232908D+01 -0.481648D+01  0.153779D+01
      3  -0.658742D+01 -0.537281D+01  0.357946D+01  0.336304D+01 -0.520448D+01
      4   0.447246D+01  0.144202D+02  0.367167D+00  0.838298D+01  0.148071D+02
      5  -0.868839D+01  0.208731D+01 -0.265443D+01 -0.434864D+01 -0.295207D+01
      6  -0.157347D+01 -0.422524D+01 -0.311599D+01 -0.833651D+01 -0.686308D+01
                21            22            23            24            25 
      1  -0.733528D+01 -0.124231D+01  0.160784D+02 -0.969871D+00 -0.164446D+01
      2   0.470975D+01  0.397762D+01 -0.194849D+02  0.270709D+01  0.204772D+01
      3   0.262553D+01 -0.273531D+01  0.340646D+01 -0.173722D+01 -0.403262D+00
      4  -0.953683D+01  0.941793D+01  0.927019D+01 -0.535273D+01 -0.495855D+01
      5   0.499550D+01 -0.121594D+01 -0.708364D+01  0.282190D+01  0.523913D+01
      6   0.254629D+01 -0.701332D+01 -0.742183D+00  0.549111D+01  0.107209D+01
                26            27            28            29            30 
      1  -0.176876D+01  0.110576D+02 -0.110461D+02  0.706853D-01  0.474721D+01
      2   0.147233D+01  0.465084D+01  0.308465D+01 -0.658478D-01 -0.612173D+01
      3   0.296434D+00 -0.157084D+02  0.796141D+01 -0.483754D-02  0.137452D+01
      4  -0.218361D+01  0.185060D+01  0.244183D-01 -0.618059D+01 -0.364763D+00
      5   0.524286D+00  0.604083D+01  0.296710D+01 -0.213100D+00 -0.287687D+01
      6   0.360357D+01  0.601549D+01 -0.203114D+00 -0.345521D+01 -0.312576D-02
                31            32            33            34            35 
      1  -0.334366D-01  0.258338D+01 -0.384707D+00  0.841231D+01 -0.563447D+00
      2   0.304239D-01 -0.994699D+01  0.417655D+00 -0.916479D+01  0.593673D+00
      3   0.301269D-02  0.736361D+01 -0.329483D-01  0.752481D+00 -0.302258D-01
      4  -0.759556D+01 -0.910096D-02 -0.628826D+01 -0.581199D+00 -0.883108D+01
      5  -0.207623D+00 -0.370284D+01  0.876889D-02  0.473564D+01 -0.160785D-01
      6  -0.339663D+01  0.248357D+00 -0.245332D+01 -0.982424D-02  0.373253D+01
                36            37            38            39            40 
      1  -0.255241D+00  0.698379D+00 -0.176598D+01 -0.645188D+01  0.267799D+01
      2  -0.292549D+00 -0.439658D+01 -0.344372D+01  0.377619D+01 -0.541531D+01
      3   0.547789D+00  0.369820D+01  0.520969D+01  0.267568D+01  0.273733D+01
      4   0.736825D-02 -0.759418D+01  0.146949D+02  0.975902D+01  0.899887D+01
      5   0.891801D+00 -0.382964D+01  0.249687D+01  0.475766D+01  0.754343D+00
      6  -0.303035D-01  0.788320D+01 -0.724890D+01 -0.251789D+01 -0.733278D+01
                41            42            43            44            45 
      1   0.151744D+02  0.775243D+00 -0.114768D+01  0.163107D+01  0.109051D+02
      2  -0.182437D+02 -0.234809D+01  0.157626D+01 -0.129754D+01  0.480716D+01
      3   0.306924D+01  0.157285D+01 -0.428574D+00 -0.333529D+00 -0.157123D+02
      4  -0.118298D+02 -0.591393D+01  0.501057D+01 -0.253748D+01 -0.211138D+01
      5  -0.718559D+01 -0.275738D+01  0.516028D+01 -0.564634D+00  0.575774D+01
      6   0.171159D+01  0.571811D+01 -0.114487D+01  0.366269D+01 -0.631616D+01
                46            47            48            49            50 
      1   0.998907D+01 -0.503314D+01  0.140050D+02 -0.373386D+01 -0.153924D+02
      2  -0.592313D+01  0.133260D+02 -0.554741D+01  0.146874D+02  0.699920D+00
      3  -0.406594D+01 -0.829285D+01 -0.845760D+01 -0.109536D+02  0.146925D+02
      4  -0.958083D+00 -0.219912D+02 -0.759596D+01 -0.276383D+02  0.291264D+02
      5   0.114242D+02  0.433314D+00 -0.968033D+01 -0.123893D+01  0.217582D+02
      6  -0.896281D+01  0.500577D+01  0.128429D+01  0.109885D+02 -0.144623D+02
                51            52            53            54            55 
      1   0.367179D+01  0.934813D+01  0.531857D+01 -0.595132D+01 -0.432677D+02
      2  -0.119646D+02 -0.302565D+01 -0.109741D+02  0.237930D+01  0.264933D+02
      3   0.829282D+01 -0.632248D+01  0.565552D+01  0.357203D+01  0.167744D+02
      4   0.194906D+02 -0.436800D+01  0.139194D+02 -0.400411D-01  0.231642D+02
      5  -0.356928D+01 -0.869570D+01 -0.194433D+01 -0.248704D+01 -0.288485D+02
      6  -0.303340D+01  0.176015D+01 -0.417838D+01  0.323810D+01  0.976698D+01
                56            57            58            59            60 
      1   0.111952D+02 -0.252983D+02  0.602437D+01  0.173934D+02 -0.717214D+01
      2  -0.115375D+02  0.137935D+02 -0.864506D+01 -0.815853D+01  0.101036D+02
      3   0.342297D+00  0.115047D+02  0.262069D+01 -0.923483D+01 -0.293150D+01
      4   0.663738D+01  0.107310D+02  0.956314D+01 -0.743447D+01 -0.827734D+01
      5   0.362668D+01 -0.565039D+01 -0.247018D+01 -0.843947D+01  0.469824D+01
      6   0.574472D+01 -0.707019D-01  0.434007D+01  0.950086D+01 -0.987594D+01
                61            62            63            64            65 
      1  -0.193689D+02 -0.584326D+01 -0.556808D+00  0.111553D+02 -0.698884D+01
      2   0.112374D+02  0.817443D+01 -0.393725D+01 -0.104552D+02  0.608485D+01
      3   0.813148D+01 -0.233117D+01  0.449406D+01 -0.700097D+00  0.903991D+00
      4   0.528320D+01 -0.559474D+01  0.424341D+01 -0.216619D+02 -0.578585D+01
      5  -0.659855D+01  0.376208D+01  0.339961D+01  0.118573D+02 -0.532304D+01
      6   0.207151D+00 -0.798873D+01 -0.157918D+00 -0.382146D+01 -0.463217D+01
                66            67            68            69            70 
      1   0.678027D+01 -0.115107D+02 -0.861345D+01 -0.383625D+01  0.369295D+01
      2  -0.661762D+01  0.803118D+01  0.143768D+01  0.177052D+01 -0.308195D+01
      3  -0.162645D+00  0.347948D+01  0.717577D+01  0.206574D+01 -0.610997D+00
      4  -0.911793D+01  0.798031D+00 -0.480806D+01  0.703940D+01 -0.462037D+01
      5   0.815353D+01 -0.608934D+01  0.220292D+01 -0.164461D+01  0.480654D+01
      6  -0.148177D+01 -0.231165D+01 -0.203574D+01  0.331512D+01 -0.135711D+01
                71            72            73            74            75 
      1  -0.135441D+01  0.888520D+01  0.137087D+02  0.554530D+01  0.772760D+01
      2   0.304107D+01  0.802958D+01 -0.128466D+02 -0.498489D+01 -0.748059D+01
      3  -0.168666D+01 -0.169148D+02 -0.862032D+00 -0.560411D+00 -0.247009D+00
      4   0.230764D+01 -0.504137D+01  0.203437D+02 -0.699979D+01  0.879423D+01
      5  -0.212830D+01 -0.850429D+01  0.124759D+02  0.469023D+01  0.828345D+01
      6   0.379029D+01  0.793164D+00  0.300050D+01 -0.491287D+01  0.126779D+01
                76            77            78            79            80 
      1   0.106461D+02 -0.895580D+01  0.411753D+01  0.416696D+01  0.136056D+01
      2  -0.750131D+01  0.159933D+01 -0.205879D+01 -0.362039D+01 -0.307233D+01
      3  -0.314478D+01  0.735646D+01 -0.205874D+01 -0.546569D+00  0.171177D+01
      4  -0.726812D+00  0.551186D+01  0.640022D+01  0.438254D+01  0.191473D+01
      5   0.556647D+01  0.182053D+01  0.143834D+01  0.498453D+01  0.208326D+01
      6  -0.262439D+01  0.225632D+01  0.319578D+01  0.130945D+01  0.364403D+01
                81            82            83            84            85 
      1   0.934300D+01 -0.788982D+01 -0.367490D+01  0.107543D+02 -0.686605D+01
      2   0.758737D+01  0.109815D+02  0.363980D+01 -0.350258D+01  0.105161D+02
      3  -0.169304D+02 -0.309168D+01  0.351051D-01 -0.725169D+01 -0.365008D+01
      4   0.498921D+01 -0.688447D+01  0.228169D+01  0.581382D+01  0.204794D+01
      5  -0.854264D+01  0.943122D+01 -0.130350D+01 -0.242478D+01 -0.145883D+01
      6  -0.437009D+00  0.568739D+01 -0.471133D+01  0.496084D+01 -0.359242D+01
                86            87            88            89            90 
      1  -0.192668D+02  0.924380D+01  0.708518D+01  0.455892D+01  0.309179D+01
      2   0.201844D+02 -0.174140D+02 -0.673085D-01 -0.817625D+01  0.556543D+01
      3  -0.917631D+00  0.817019D+01 -0.701788D+01  0.361733D+01 -0.865722D+01
      4   0.524241D+01 -0.358061D+01  0.645490D+01 -0.272086D+01  0.289478D+01
      5  -0.755290D+01  0.195213D+01 -0.132525D+01  0.554063D+00 -0.191076D+01
      6  -0.132545D+02  0.494982D+01  0.381878D+01  0.208105D+01  0.718427D+01
                91            92            93            94            95 
      1  -0.205213D+01  0.181228D+01 -0.700707D+01  0.769599D+01  0.185789D+02
      2  -0.157674D+00 -0.339559D+01  0.442616D+01 -0.137226D+02 -0.251672D+02
      3   0.220981D+01  0.158331D+01  0.258091D+01  0.602666D+01  0.658833D+01
      4  -0.710395D+01 -0.348543D+01 -0.127088D+02 -0.470872D+01 -0.124801D+02
      5  -0.585191D+01 -0.164765D+01 -0.346893D+01 -0.116680D+01  0.752641D+01
      6  -0.129024D+02  0.377032D+01 -0.874491D+01  0.447266D+01  0.311176D+02
                96            97            98            99           100 
      1  -0.164992D+02 -0.992090D+01 -0.212626D+02  0.315155D+01  0.724682D+02
      2   0.313409D+02  0.819690D+01  0.346100D+02 -0.773948D+01 -0.391407D+02
      3  -0.148418D+02  0.172399D+01 -0.133475D+02  0.458793D+01 -0.333275D+02
      4   0.593185D+01 -0.139067D+02  0.931263D+01 -0.123062D+02 -0.334595D+02
      5  -0.530218D+00 -0.489960D+01 -0.375730D+01 -0.179959D+00  0.331682D+02
      6  -0.101437D+02 -0.121228D+02 -0.137483D+02  0.205771D+01 -0.101165D+02
               101           102           103           104           105 
      1  -0.104740D+02  0.202497D+02  0.220729D+01  0.560310D+01  0.230721D+01
      2   0.315334D+01 -0.133090D+02 -0.486018D+01 -0.182010D+01 -0.346476D+01
      3   0.732066D+01 -0.694068D+01  0.265289D+01 -0.378300D+01  0.115755D+01
      4   0.137752D+02 -0.964861D+01  0.105030D+02 -0.555458D+01  0.421127D+01
      5  -0.541428D+01  0.185551D+02  0.755638D+00  0.522423D+01 -0.668069D+00
      6   0.335333D+01 -0.656274D+01  0.293397D+01 -0.318570D+01  0.371565D+01
               106           107           108           109           110 
      1   0.154655D+02 -0.997260D+00  0.114963D+02 -0.251256D+01 -0.940967D+01
      2  -0.124658D+02 -0.439196D+00 -0.930344D+01  0.265923D+01  0.863145D+01
      3  -0.299973D+01  0.143646D+01 -0.219290D+01 -0.146665D+00  0.778220D+00
      4  -0.889632D+01  0.463367D+01 -0.746900D+01 -0.602412D+00 -0.947656D+00
      5   0.217014D+02 -0.449790D+01  0.137314D+02  0.330318D+01 -0.738424D+00
      6  -0.756773D+01  0.459302D+01 -0.488879D+01 -0.521867D+01 -0.580681D+01
               111           112           113           114           115 
      1   0.891255D+01 -0.548190D+01 -0.192458D+02  0.999177D+01  0.583443D+01
      2  -0.487346D+01  0.349419D+01  0.243327D+02 -0.936941D+01 -0.264402D+01
      3  -0.403909D+01  0.198770D+01 -0.508692D+01 -0.622358D+00 -0.319041D+01
      4  -0.212133D+01  0.468262D+01 -0.147156D+02  0.707802D+01 -0.466439D+01
      5  -0.767093D+00 -0.211193D+01  0.726807D+01 -0.887375D+01  0.326544D+01
      6   0.517001D+01 -0.435333D+00 -0.183463D+02  0.144271D+02  0.301903D+00
               116           117           118           119           120 
      1   0.777136D+01 -0.982290D+01  0.151310D+02 -0.101212D+02 -0.549776D+01
      2  -0.592902D+01  0.484220D+01 -0.443776D+00 -0.294938D+01  0.126387D+01
      3  -0.184234D+01  0.498070D+01 -0.146872D+02  0.130706D+02  0.423389D+01
      4   0.716368D+01 -0.550419D+01 -0.254471D+02  0.240457D+02  0.817255D+01
      5  -0.670490D+01  0.808841D+01 -0.113360D+02  0.761447D+01  0.893903D+01
      6   0.131960D+02 -0.133797D+02  0.752196D+01 -0.596334D+01 -0.473244D+01
               121           122           123           124           125 
      1  -0.913248D+01  0.668806D+00 -0.113811D+01 -0.394853D+01 -0.141861D+01
      2  -0.906581D+01  0.242431D+02  0.682055D+01  0.111964D+01  0.363365D+01
      3   0.181983D+02 -0.249119D+02 -0.568244D+01  0.282889D+01 -0.221504D+01
      4   0.346842D+02 -0.473247D+02 -0.160848D+02  0.941149D+01 -0.126073D+02
      5   0.106076D+02 -0.159932D+02 -0.102990D+02  0.121997D+02 -0.112921D+02
      6  -0.109357D+02  0.185054D+02  0.115015D+02 -0.842537D+01  0.125282D+02
               126           127           128           129           130 
      1   0.111052D+01  0.226893D+02  0.753141D+01 -0.102391D+02  0.157108D+02
      2   0.151343D+01 -0.163104D+02 -0.691549D+01  0.852222D+01 -0.134757D+02
      3  -0.262395D+01 -0.637890D+01 -0.615919D+00  0.171687D+01 -0.223515D+01
      4  -0.121159D+02  0.180967D+01  0.686450D+01 -0.723479D-01  0.705447D+01
      5  -0.918815D+01 -0.155218D+02 -0.396686D+01  0.128288D+02 -0.919216D+01
      6   0.878017D+01  0.109927D+01 -0.180682D+01 -0.206720D+01 -0.286213D+01
               131           132           133           134           135 
      1   0.902630D+01 -0.550022D+01 -0.986964D+01 -0.160544D+01  0.671254D+01
      2  -0.828504D+01  0.866386D+01  0.952343D+01  0.497426D+01 -0.109096D+02
      3  -0.741259D+00 -0.316364D+01  0.346218D+00 -0.336882D+01  0.419704D+01
      4   0.832803D+01 -0.734835D+01  0.171285D+01 -0.602069D+01  0.262150D+01
      5  -0.102809D+02  0.116560D+02  0.137616D+02  0.560756D+01 -0.151745D+02
      6  -0.160672D+01  0.399496D+00 -0.145364D+01  0.242366D+01  0.131678D+01
               136           137           138           139           140 
      1   0.183686D+02  0.116089D+02 -0.621120D+01  0.115626D+02  0.380370D+01
      2  -0.229941D+01  0.184138D+01  0.172935D+01  0.701513D+01  0.197155D+02
      3  -0.160692D+02 -0.134503D+02  0.448184D+01 -0.185777D+02 -0.235192D+02
      4   0.272450D+02  0.245446D+02 -0.856242D+01  0.354582D+02  0.455747D+02
      5  -0.125023D+02 -0.806286D+01  0.960764D+01 -0.112747D+02 -0.159640D+02
      6  -0.774812D+01 -0.606773D+01  0.481962D+01 -0.109120D+02 -0.170790D+02
               141           142           143           144           145 
      1  -0.974455D-02 -0.475427D+01  0.513892D+00  0.216734D+01  0.215362D+02
      2  -0.548518D+01  0.182145D+01 -0.260776D+01  0.454503D+00 -0.152633D+02
      3   0.549493D+01  0.293282D+01  0.209387D+01 -0.262184D+01 -0.627287D+01
      4  -0.160270D+02 -0.972713D+01 -0.123905D+02  0.121051D+02 -0.282627D+01
      5   0.103974D+02  0.130774D+02  0.112885D+02 -0.958266D+01 -0.149830D+02
      6   0.108520D+02  0.841628D+01  0.116823D+02 -0.839038D+01 -0.642092D+00
               146           147           148           149           150 
      1  -0.750014D+01 -0.997713D+01 -0.156669D+02  0.927779D+01  0.528227D+01
      2   0.663760D+01  0.811456D+01  0.131660D+02 -0.839153D+01 -0.835573D+01
      3   0.862534D+00  0.186258D+01  0.250086D+01 -0.886258D+00  0.307345D+01
      4   0.721296D+01  0.542637D+00  0.804040D+01 -0.975289D+01 -0.796989D+01
      5   0.409459D+01  0.123837D+02  0.927689D+01 -0.107759D+02 -0.121651D+02
      6  -0.186766D+01  0.154706D+01 -0.314944D+01  0.228060D+01  0.842710D+00
               151           152           153           154           155 
      1  -0.992567D+01  0.150076D+01  0.645478D+01  0.754328D+02  0.866903D+01
      2   0.942424D+01 -0.484647D+01 -0.106229D+02 -0.417377D+02 -0.262627D+01
      3   0.501429D+00  0.334571D+01  0.416814D+01 -0.336951D+02 -0.604277D+01
      4  -0.114009D+01 -0.623930D+01 -0.337479D+01  0.295481D+02  0.121018D+02
      5   0.135485D+02 -0.608327D+01 -0.151740D+02  0.337564D+02  0.434853D+01
      6   0.965538D+00  0.262972D+01 -0.645989D+00  0.894750D+01  0.286651D+01
               156           157           158           159           160 
      1   0.209301D+02 -0.425149D+01  0.574393D+01 -0.283083D+01  0.162586D+02
      2  -0.139377D+02  0.562942D+01 -0.232993D+01  0.369418D+01 -0.131849D+02
      3  -0.699235D+01 -0.137793D+01 -0.341400D+01 -0.863356D+00 -0.307368D+01
      4   0.837066D+01  0.973310D+01  0.424807D+01  0.409744D+01  0.788281D+01
      5   0.188596D+02 -0.183605D+01  0.520350D+01  0.244941D-01  0.222205D+02
      6   0.592309D+01  0.271241D+01  0.271585D+01  0.343596D+01  0.682601D+01
               161           162           163           164           165 
      1   0.707945D+00  0.121167D+02 -0.183909D+01  0.861876D+01  0.866055D+01
      2   0.604937D+00 -0.992340D+01  0.211901D+01 -0.763481D+01 -0.465330D+01
      3  -0.131288D+01 -0.219328D+01 -0.279922D+00 -0.983947D+00 -0.400725D+01
      4   0.427176D+01  0.656205D+01  0.959660D+00 -0.105066D+01  0.185611D+01
      5   0.375258D+01  0.139582D+02  0.363975D+01  0.676950D+00 -0.576211D+00
      6   0.411079D+01  0.430697D+01  0.482568D+01 -0.526906D+01 -0.451923D+01
               166           167           168           169           170 
      1   0.521035D+01 -0.185362D+02 -0.972047D+01  0.592148D+01 -0.738027D+01
      2  -0.300747D+01  0.235130D+02  0.893611D+01 -0.280697D+01  0.541122D+01
      3  -0.220288D+01 -0.497674D+01  0.784360D+00 -0.311451D+01  0.196905D+01
      4   0.497139D+01  0.164124D+02  0.780526D+01  0.461862D+01  0.752933D+01
      5   0.228990D+01  0.792347D+01  0.951460D+01  0.356278D+01  0.711110D+01
      6   0.327819D-01  0.182672D+02  0.142290D+02  0.110390D+00  0.128933D+02
               171           172           173           174           175 
      1  -0.930284D+01  0.129074D+02 -0.624710D+01  0.542137D+00 -0.120343D+02
      2   0.434379D+01 -0.482340D+01  0.230086D+01 -0.858692D+00  0.659504D+01
      3   0.495906D+01 -0.808403D+01  0.394624D+01  0.316554D+00  0.543923D+01
      4   0.610744D+01 -0.112422D+02  0.115911D+02 -0.250000D+01  0.949824D+01
      5   0.863927D+01  0.363931D+01 -0.298217D+01  0.330729D+01 -0.868024D+01
      6   0.129951D+02 -0.316877D+01  0.376005D+01 -0.141385D+01  0.448798D+01
               176           177           178           179           180 
      1   0.462512D+01 -0.259843D+01 -0.616477D+01  0.114635D+01 -0.101638D+01
      2   0.699467D+00  0.394471D+01  0.304994D+01  0.788960D+00 -0.807480D+00
      3  -0.532459D+01 -0.134628D+01  0.311483D+01 -0.193531D+01  0.182386D+01
      4  -0.180608D+02  0.201128D+01 -0.206957D+01 -0.219616D+01 -0.391780D+01
      5   0.315702D+01 -0.580888D+01  0.301243D+00 -0.310691D+01  0.776493D+00
      6  -0.683046D+01  0.214600D+01 -0.126966D+01  0.912955D+00 -0.175298D+01
               181           182           183           184           185 
      1  -0.350511D+01 -0.154290D+00  0.347463D+01  0.250742D+00 -0.118356D+01
      2   0.101763D+01 -0.577014D+00  0.171984D+01 -0.133087D+00 -0.202974D+01
      3   0.248748D+01  0.731304D+00 -0.519446D+01 -0.117655D+00  0.321331D+01
      4  -0.283399D+01  0.543589D+00 -0.510568D+00  0.323128D+01 -0.179873D+00
      5  -0.108320D+01 -0.411920D+00  0.896667D+00 -0.500426D+00  0.300407D+01
      6   0.213075D+00  0.634852D+00 -0.647485D-01  0.167694D+01 -0.393243D+00
               186           187           188           189           190 
      1  -0.314480D-01  0.248998D+01  0.203749D+01 -0.176162D+02 -0.431169D+01
      2   0.777780D+00 -0.653446D+01  0.174307D+01 -0.198048D+02  0.589546D+01
      3  -0.746332D+00  0.404447D+01 -0.378056D+01  0.374210D+02 -0.158376D+01
      4   0.336738D+01  0.143399D+01  0.447147D+01 -0.366124D+01 -0.480690D+01
      5  -0.664570D+00  0.884053D+01 -0.247246D+01  0.240882D+02  0.309215D+01
      6   0.557785D+01  0.258229D+00  0.350912D+01  0.862672D+00  0.277086D+00
               191           192           193           194           195 
      1   0.683024D+01 -0.182044D+01  0.694623D+01 -0.208923D+02  0.471493D+01
      2  -0.871629D+01  0.119147D+01 -0.667390D+01  0.321992D+02 -0.399355D+01
      3   0.188605D+01  0.628971D+00 -0.272329D+00 -0.113069D+02 -0.721379D+00
      4   0.620706D+00  0.181387D+01  0.609863D+01  0.207204D+01 -0.684268D+00
      5  -0.451477D+00 -0.713311D+00 -0.291186D+01  0.187968D+01  0.106730D+01
      6   0.662533D+01 -0.315061D+01  0.135195D+01 -0.122220D+02  0.659532D+01
               196           197           198           199           200 
      1   0.159548D+01  0.796453D+00 -0.455013D+01 -0.548137D+00  0.143993D+01
      2  -0.135890D+01  0.291681D+01  0.254670D+01 -0.253390D+01 -0.102967D+01
      3  -0.236579D+00 -0.371326D+01  0.200343D+01  0.308204D+01 -0.410255D+00
      4   0.322463D+01  0.367507D+01 -0.165844D+01  0.399121D+00 -0.584412D+00
      5  -0.952221D+00 -0.122217D+00  0.658414D+00 -0.183997D+01  0.216041D-02
      6  -0.210989D+01  0.283209D+01 -0.194383D+01 -0.598216D+00  0.210348D+01
               201           202           203           204           205 
      1  -0.336045D+01 -0.126532D+01 -0.391249D+01  0.270111D+00 -0.313197D+01
      2   0.909114D+00  0.114505D+01  0.143443D+01 -0.451137D+01  0.290728D+01
      3   0.245134D+01  0.120279D+00  0.247806D+01  0.424126D+01  0.224685D+00
      4  -0.103151D+01 -0.187491D+01 -0.323672D+01  0.190830D-01 -0.410052D+01
      5   0.404888D+01  0.863276D+00  0.384071D+00 -0.217423D+01  0.418289D+01
      6  -0.176489D+01  0.179602D+01 -0.772778D+00  0.243241D+01  0.101987D+01
               206           207           208           209           210 
      1   0.496619D+01 -0.214218D+02 -0.446224D+01 -0.744346D+01 -0.215489D+01
      2  -0.836980D-01 -0.149241D+02  0.614257D+01  0.976423D+01  0.150209D+01
      3  -0.488250D+01  0.363459D+02 -0.168033D+01 -0.232078D+01  0.652803D+00
      4  -0.305209D+01 -0.421141D+00  0.560791D+01  0.107344D+01 -0.169229D+01
      5   0.340556D+01 -0.149480D+02  0.325009D+01  0.705307D+00 -0.608874D+00
      6   0.789278D+01 -0.192214D+02 -0.592414D-01  0.710102D+01  0.345435D+01
               211           212           213           214           215 
      1  -0.709899D+01 -0.203496D+02 -0.463663D+01  0.129910D+01 -0.502201D+00
      2   0.725900D+01  0.315937D+02  0.393797D+01 -0.122269D+01 -0.323093D+01
      3  -0.160013D+00 -0.112440D+02  0.698665D+00 -0.764164D-01  0.373314D+01
      4   0.644186D+01 -0.713982D-01 -0.226105D+00 -0.319467D+01  0.371089D+01
      5   0.292931D+01  0.225838D+01 -0.751102D+00 -0.857593D+00  0.276952D+00
      6   0.174716D+01  0.116911D+02  0.645883D+01  0.226573D+01  0.271042D+01
               216           217           218           219           220 
      1  -0.438159D+01 -0.616786D+00 -0.162522D+01 -0.328175D+01  0.959754D+00
      2   0.239014D+01 -0.247884D+01  0.124201D+01  0.100377D+01 -0.807378D+00
      3   0.199145D+01  0.309562D+01  0.383214D+00  0.227798D+01 -0.152376D+00
      4   0.196035D+01 -0.584043D+00 -0.294703D+00  0.123036D+01 -0.178846D+01
      5   0.744674D+00 -0.183222D+01  0.194314D+00  0.421031D+01 -0.674545D+00
      6   0.188769D+01  0.860143D+00  0.210228D+01  0.169636D+01  0.182382D+01
               221           222           223           224           225 
      1  -0.360606D+01 -0.141813D+00 -0.299822D+01 -0.513108D+01 -0.213863D+02
      2   0.113962D+01  0.444287D+01  0.254134D+01  0.224457D+00 -0.149281D+02
      3   0.246644D+01 -0.430106D+01  0.456886D+00  0.490662D+01  0.363143D+02
      4   0.354634D+01  0.178130D+00  0.422668D+01 -0.300980D+01  0.688800D+00
      5   0.440074D+00  0.206989D+01  0.398237D+01 -0.324806D+01 -0.140601D+02
      6   0.603303D+00  0.228834D+01 -0.843678D+00  0.811269D+01  0.199046D+02
               226           227           228           229           230 
      1   0.146331D+02  0.683739D+01  0.864643D+00  0.124131D+02  0.529397D+01
      2  -0.617451D+01 -0.303525D+01 -0.123492D+01 -0.712469D+01 -0.377898D+00
      3  -0.845861D+01 -0.380214D+01  0.370274D+00 -0.528842D+01 -0.491608D+01
      4   0.112853D+02  0.114425D+02  0.249527D+01  0.891626D+01  0.169611D+02
      5   0.426527D+01  0.309391D+01  0.360219D+01  0.881369D+01  0.292485D+01
      6   0.333419D+01  0.376301D+01  0.135119D+01  0.424583D+01  0.634886D+01
               231           232           233           234           235 
      1   0.271485D+01 -0.601398D+01 -0.107470D+01 -0.681654D+00 -0.323601D+01
      2  -0.405315D+01  0.282505D+01 -0.724689D+00 -0.114093D+01  0.779623D+00
      3   0.133830D+01  0.318893D+01  0.179939D+01  0.182258D+01  0.245638D+01
      4   0.161261D+01  0.237165D+01 -0.227729D+01  0.391125D+01  0.317116D+01
      5   0.574095D+01  0.486236D+00  0.312250D+01  0.847767D+00 -0.104793D+01
      6   0.183721D+01  0.128518D+01  0.725884D+00  0.172259D+01 -0.693889D-01
               236           237           238           239           240 
      1   0.284456D+00  0.352517D+01  0.111583D+00 -0.118278D+01  0.166930D+00
      2   0.414346D+00  0.163656D+01 -0.263091D+00 -0.205476D+01 -0.113706D+01
      3  -0.698802D+00 -0.516174D+01  0.151508D+00  0.323754D+01  0.970130D+00
      4   0.429426D+00  0.575315D+00  0.310187D+01 -0.175569D-01  0.329673D+01
      5   0.611285D+00  0.930320D+00  0.743948D+00  0.296362D+01  0.862164D+00
      6   0.633117D+00  0.263845D+00  0.166595D+01  0.165440D+00  0.553527D+01
               241           242           243           244           245 
      1   0.227093D+01 -0.174847D+01 -0.172996D+02 -0.182785D+01 -0.115783D+01
      2  -0.647247D+01 -0.185206D+01 -0.201060D+02 -0.576711D-01  0.253412D+01
      3   0.420154D+01  0.360053D+01  0.374056D+02  0.188552D+01 -0.137629D+01
      4  -0.162462D+01  0.454026D+01  0.354327D+01  0.686566D+01 -0.308737D+01
      5   0.891576D+01  0.223441D+01  0.239951D+02 -0.511886D+01  0.231617D+01
      6  -0.491924D+00  0.342169D+01 -0.189589D+01  0.134238D+02  0.168863D+01
               246           247           248           249           250 
      1  -0.509844D+01 -0.711950D+01  0.200303D+02  0.171738D+02 -0.767195D+01
      2   0.186402D+01  0.129363D+02 -0.269801D+02 -0.318927D+02  0.536093D+01
      3   0.323443D+01 -0.581676D+01  0.694984D+01  0.147189D+02  0.231102D+01
      4   0.133225D+02 -0.359343D+01  0.108117D+02  0.321545D+01  0.149431D+02
      5  -0.306833D+01  0.186345D+01  0.597593D+01  0.215038D+00 -0.421287D+01
      6   0.842384D+01  0.243485D+01 -0.316965D+02 -0.105314D+02  0.116916D+02
               251           252           253           254           255 
      1   0.223508D+02  0.421861D+01 -0.676982D+01  0.328349D+01  0.977566D+01
      2  -0.356266D+02 -0.879688D+01  0.971029D+01 -0.333609D+01 -0.217228D+01
      3   0.132758D+02  0.457827D+01 -0.294047D+01  0.525967D-01 -0.760338D+01
      4   0.614768D+01  0.117684D+02  0.781563D+01  0.143666D+01 -0.653765D+01
      5   0.332850D+01 -0.264594D+00  0.925155D+01  0.360677D+00 -0.273953D+01
      6  -0.144147D+02 -0.204703D+01 -0.645269D+01 -0.385925D+01 -0.460902D+01
               256           257           258           259           260 
      1   0.644654D+01 -0.201085D+02 -0.994500D+01  0.628971D+01 -0.507804D+01
      2  -0.101769D+02  0.211852D+02  0.177920D+02  0.886761D+00  0.838249D+01
      3   0.373040D+01 -0.107670D+01 -0.784698D+01 -0.717647D+01 -0.330445D+01
      4   0.768151D+00 -0.360909D+01 -0.210687D+01 -0.685564D+01 -0.184509D+01
      5   0.570444D+00 -0.702959D+01 -0.161075D+01 -0.152951D+01 -0.394459D+00
      6  -0.276390D+01  0.139026D+02  0.522776D+01 -0.366042D+01  0.226180D+01
               261           262           263           264           265 
      1   0.283034D+01  0.178959D+02 -0.283028D+01 -0.590082D+01 -0.508994D+00
      2   0.581319D+01 -0.158716D+02  0.596787D+01  0.820951D+01  0.239784D+01
      3  -0.864353D+01 -0.202430D+01 -0.313759D+01 -0.230869D+01 -0.188885D+01
      4  -0.277439D+01  0.157585D+02  0.645001D+01 -0.778325D+01  0.115115D+01
      5  -0.222850D+01 -0.182394D+02 -0.311634D+01  0.113915D+02  0.232006D+01
      6  -0.709172D+01 -0.749047D+01 -0.366518D+01  0.667687D+01 -0.221805D+00
               266           267           268           269           270 
      1   0.417014D+01 -0.603947D+00 -0.332853D+01 -0.630597D+00  0.150382D+01
      2  -0.285997D+01 -0.421299D+00  0.680634D+01  0.174496D+01 -0.744828D+01
      3  -0.131017D+01  0.102525D+01 -0.347781D+01 -0.111436D+01  0.594445D+01
      4   0.438955D+00  0.293847D+00 -0.299760D+01 -0.342529D+00  0.342282D+01
      5  -0.279438D+00 -0.128374D+01  0.827063D+01  0.252493D+00 -0.756743D+01
      6   0.144382D+01 -0.117035D+00  0.353313D+01  0.135692D+01 -0.511455D+01
               271           272           273           274           275 
      1  -0.127725D+00  0.657482D+01 -0.774349D+01  0.189152D+01 -0.186067D+01
      2  -0.459800D+01 -0.653456D+01 -0.191970D+01 -0.197513D+01 -0.734103D+00
      3   0.472572D+01 -0.402591D-01  0.966319D+01  0.836069D-01  0.259478D+01
      4  -0.378637D+01 -0.810846D+00 -0.351435D+01 -0.844667D-01 -0.213195D+01
      5   0.188593D+01  0.262080D+00  0.360338D+01 -0.163785D-01  0.218511D+01
      6  -0.248689D+01  0.577833D+01 -0.887727D+01  0.242388D+01 -0.251798D+01
               276           277           278           279           280 
      1   0.164344D+01 -0.231597D+01  0.669916D+01 -0.159292D+02  0.122255D+02
      2  -0.651793D+00 -0.124068D+01 -0.229626D+01 -0.128597D+02 -0.252853D+01
      3  -0.991646D+00  0.355665D+01 -0.440290D+01  0.287889D+02 -0.969700D+01
      4   0.131919D+01 -0.335312D+01 -0.971106D+00 -0.321347D+01  0.257062D+02
      5  -0.933872D+00  0.391584D+01  0.396700D+00 -0.138290D+01  0.769151D+01
      6   0.531138D+01 -0.153615D+01  0.807827D+01 -0.211385D+02  0.985934D+01
               281           282           283           284           285 
      1  -0.223306D+01  0.465557D+01 -0.341545D+01 -0.168720D+01 -0.766008D+00
      2   0.100983D+02 -0.127607D+01  0.755663D+01  0.594389D+01  0.933253D+00
      3  -0.786519D+01 -0.337950D+01 -0.414119D+01 -0.425669D+01 -0.167245D+00
      4   0.121964D+02  0.979756D+01  0.656138D+01  0.891363D+01  0.194599D+01
      5   0.184863D+01  0.633748D+01  0.721107D+00  0.178581D+01  0.753820D+00
      6   0.306086D+01  0.864547D+01  0.126232D+01  0.164609D+01  0.349920D+01
               286           287           288           289           290 
      1   0.504974D+01 -0.856991D+00  0.626332D+00 -0.349198D+01 -0.948469D+00
      2  -0.217871D+01  0.414083D+01  0.629998D+00  0.866115D+01  0.608307D+01
      3  -0.287103D+01 -0.328384D+01 -0.125633D+01 -0.516917D+01 -0.513460D+01
      4   0.156947D+02  0.619989D+01  0.106329D+02  0.826004D+01  0.159316D+02
      5   0.791601D+01  0.327762D+01  0.766269D+01 -0.154192D+01 -0.349287D+01
      6   0.110341D+02  0.812805D+01  0.133354D+02 -0.474942D+01 -0.451347D+01
               291           292           293           294           295 
      1   0.105253D+01 -0.513873D+01 -0.379738D+02  0.136315D+02  0.459340D+01
      2  -0.240139D+01  0.119905D+02  0.671755D+02 -0.216365D+02 -0.677638D+01
      3   0.134886D+01 -0.685172D+01 -0.292017D+02  0.800496D+01  0.218298D+01
      4  -0.505708D+01  0.123303D+02  0.204142D+02 -0.775447D+01 -0.582579D+01
      5   0.375818D+01 -0.185343D+01 -0.495850D+01  0.303454D+01  0.407196D+01
      6   0.361750D+01 -0.639351D+01 -0.306954D+02  0.184068D+02  0.773514D+01
               296           297           298           299           300 
      1   0.211493D+02 -0.135886D+02 -0.389309D+01  0.759854D+00  0.858670D+00
      2  -0.306617D+02  0.166029D+02  0.858026D+01 -0.480653D+01 -0.185039D+01
      3   0.951244D+01 -0.301435D+01 -0.468717D+01  0.404668D+01  0.991724D+00
      4  -0.114187D+02  0.846302D+01 -0.650743D+01  0.151522D+02  0.460484D+01
      5   0.544214D+01 -0.455253D+01 -0.111807D+01  0.317641D+01  0.348986D+01
      6   0.276447D+02 -0.215380D+02  0.436918D+01 -0.348114D+01 -0.295189D+01
               301           302           303           304           305 
      1   0.461659D+01 -0.398929D+02 -0.142948D+02  0.410299D+01 -0.222580D+02
      2  -0.103811D+02  0.695952D+02  0.223533D+02 -0.586291D+01  0.318637D+02
      3   0.576455D+01 -0.297023D+02 -0.805855D+01  0.175993D+01 -0.960569D+01
      4   0.111170D+02 -0.168675D+02 -0.637201D+01  0.488991D+01 -0.930393D+01
      5   0.145788D+01 -0.380101D+01 -0.237024D+01  0.353372D+01 -0.436982D+01
      6  -0.529135D+01  0.313143D+02  0.186628D+02 -0.666237D+01  0.281722D+02
               306           307           308           309           310 
      1  -0.142713D+02  0.102232D+02  0.271794D+01  0.380677D+01  0.341337D+01
      2   0.172917D+02 -0.106601D+01 -0.108005D+02 -0.438119D+00 -0.777061D+01
      3  -0.302040D+01 -0.915714D+01  0.808258D+01 -0.336866D+01  0.435723D+01
      4  -0.709173D+01 -0.254636D+02  0.123586D+02 -0.993514D+01  0.679843D+01
      5  -0.358962D+01  0.713335D+01 -0.195753D+01  0.591662D+01 -0.908701D+00
      6   0.217027D+02 -0.998049D+01  0.351856D+01 -0.875403D+01  0.165281D+01
               311           312           313           314           315 
      1  -0.276665D+01  0.765830D+00  0.370318D+01  0.122599D+01 -0.314423D+00
      2   0.756726D+01 -0.108029D+01 -0.983222D+00 -0.462500D+01  0.156309D+01
      3  -0.480061D+01  0.314464D+00 -0.271995D+01  0.339901D+01 -0.124867D+01
      4  -0.935857D+01  0.229834D+01 -0.156758D+02  0.665455D+01 -0.105918D+02
      5   0.182697D+01 -0.863111D+00  0.728484D+01 -0.324013D+01  0.706246D+01
      6  -0.193384D+01  0.391710D+01 -0.109976D+02  0.875597D+01 -0.136600D+02
               316           317           318           319           320 
      1   0.165752D+02  0.282980D+01 -0.515384D+01  0.572790D-01  0.396725D+01
      2  -0.147821D+02 -0.598881D+01  0.750963D+01 -0.196505D+01 -0.242808D+01
      3  -0.179313D+01  0.315901D+01 -0.235578D+01  0.190777D+01 -0.153917D+01
      4  -0.168592D+02  0.676680D+01  0.839342D+01  0.174386D+01 -0.108430D+01
      5  -0.178389D+02  0.373247D+01  0.111433D+02 -0.155196D+01 -0.413722D+00
      6   0.811133D+01 -0.423042D+01 -0.718472D+01 -0.549000D+00 -0.123674D+01
               321           322           323           324           325 
      1   0.855167D+00 -0.301474D+01  0.724853D+00  0.118145D+01 -0.188740D+00
      2   0.635760D-01  0.644358D+01 -0.199468D+01 -0.713142D+01 -0.453410D+01
      3  -0.918743D+00 -0.342884D+01  0.126982D+01  0.594997D+01  0.472284D+01
      4  -0.915225D-01  0.342038D+01 -0.602724D+00 -0.381623D+01  0.357508D+01
      5   0.783170D+00  0.810096D+01 -0.557649D+00 -0.734503D+01  0.200079D+01
      6   0.149286D+00 -0.384114D+01  0.154654D+01  0.545806D+01  0.276990D+01
               326           327           328           329           330 
      1  -0.669027D+01 -0.748267D+01 -0.195839D+01 -0.128356D+01 -0.119119D+01
      2   0.674312D+01 -0.221656D+01  0.213629D+01 -0.131393D+01  0.626852D+00
      3  -0.528527D-01  0.969924D+01 -0.177908D+00  0.259749D+01  0.564333D+00
      4  -0.286478D+00  0.382425D+01  0.233622D-01  0.218196D+01  0.124977D+01
      5   0.108303D-01  0.404189D+01  0.138335D+00  0.229304D+01  0.990473D+00
      6   0.576944D+01  0.894018D+01  0.240769D+01  0.205606D+01  0.487174D+01
               331           332           333 
      1  -0.232408D+01 -0.665885D+01 -0.156286D+02
      2  -0.143579D+01  0.241997D+01 -0.131375D+02
      3   0.375987D+01  0.423888D+01  0.287661D+02
      4   0.336634D+01 -0.716281D+00  0.334448D+01
      5   0.397268D+01 -0.206265D+00 -0.430179D+00
      6   0.172943D+01  0.801451D+01  0.211701D+02
 Leave Link  716 at Fri Jul 23 00:52:44 2021, MaxMem=  5637144576 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.157472D+03 -0.266247D-02 -0.127888D-01
      2  -0.266247D-02  0.156294D+03 -0.106689D-02
      3  -0.127888D-01 -0.106689D-02  0.126011D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.331350D+01  0.125794D+00  0.194757D+01
      2   0.698630D-01  0.165045D+01 -0.354567D-01
      3   0.255484D+01 -0.992605D-01 -0.254055D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.671318D+01 -0.103702D+03 -0.228210D+00
      2   0.684471D+01  0.110128D+03  0.209403D+00
      3  -0.131527D+00 -0.642645D+01  0.188074D-01
      4  -0.101053D+03  0.688596D+01 -0.511106D+01
      5  -0.196719D+00  0.151005D+01 -0.232019D+00
      6  -0.101086D+02  0.176633D+00 -0.965749D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.900735D+01  0.108536D+01  0.443448D+01 -0.821889D+00 -0.291117D+01
      2   0.108536D+01 -0.260055D+01  0.107320D+00 -0.291117D+01  0.753503D+00
      3   0.443448D+01  0.107320D+00  0.608854D+00 -0.661367D+00  0.228498D+01
                 6             7             8             9            10 
      1  -0.661367D+00  0.312397D+01 -0.401548D+00  0.719591D+00 -0.919607D+00
      2   0.228498D+01 -0.401548D+00  0.153441D+01  0.129694D+01  0.116710D+01
      3   0.103220D+01  0.719591D+00  0.129694D+01 -0.499065D+00 -0.264708D+01
                11            12            13            14            15 
      1   0.116710D+01 -0.264708D+01  0.258678D+01  0.596098D+01 -0.110568D+01
      2   0.449149D+01 -0.276496D+00  0.596098D+01  0.308545D+01 -0.382356D+01
      3  -0.276496D+00  0.939038D+00 -0.110568D+01 -0.382356D+01 -0.207080D+00
                16            17            18            19            20 
      1  -0.162447D+01 -0.386101D+00  0.129854D+01 -0.303470D+01 -0.439515D+01
      2  -0.386101D+00 -0.281751D+01 -0.208170D+00 -0.439515D+01 -0.676030D+01
      3   0.129854D+01 -0.208170D+00  0.580509D+00  0.355153D+01  0.271905D+01
                21            22            23            24            25 
      1   0.355153D+01 -0.205820D+01 -0.451298D+01  0.144133D+01  0.198533D+01
      2   0.271905D+01 -0.451298D+01 -0.301811D+01  0.291281D+01  0.134659D+01
      3  -0.144797D+01  0.144133D+01  0.291281D+01 -0.163245D+01 -0.123889D+01
                26            27            28            29            30 
      1   0.134659D+01 -0.123889D+01  0.122271D+00  0.218643D+01  0.100242D-02
      2   0.312912D+01 -0.195570D+01  0.218643D+01 -0.166537D+00 -0.175442D+01
      3  -0.195570D+01 -0.178325D+01  0.100242D-02 -0.175442D+01  0.144909D-02
                31            32            33            34            35 
      1   0.202444D+01 -0.148169D+00  0.204765D+01 -0.417769D-02 -0.679764D-01
      2  -0.148169D+00 -0.252338D+01  0.940027D-03 -0.679764D-01  0.424065D-02
      3   0.204765D+01  0.940027D-03  0.258274D+00  0.314030D-02  0.129518D+00
                36            37            38            39            40 
      1   0.314030D-02  0.258277D+01 -0.401026D+01 -0.336238D+01 -0.177425D+01
      2   0.129518D+00 -0.401026D+01  0.698232D+01  0.273279D+01  0.463054D+01
      3  -0.237073D-02 -0.336238D+01  0.273279D+01  0.137793D+01  0.145369D+01
                41            42            43            44            45 
      1   0.463054D+01  0.145369D+01 -0.187770D+01  0.128753D+01  0.114993D+01
      2  -0.372381D+01 -0.309954D+01  0.128753D+01 -0.325158D+01 -0.199758D+01
      3  -0.309954D+01 -0.168483D+01  0.114993D+01 -0.199758D+01  0.178755D+01
                46            47            48            49            50 
      1   0.111512D+01  0.671412D+00  0.258607D+01  0.202402D+01 -0.594676D+01
      2   0.671412D+00 -0.441834D+01 -0.219723D+00 -0.594676D+01  0.380266D+01
      3   0.258607D+01 -0.219723D+00 -0.950912D+00 -0.104593D+01  0.387821D+01
                51            52            53            54            55 
      1  -0.104593D+01  0.158995D+01 -0.325995D+00 -0.130513D+01 -0.891021D+01
      2   0.387821D+01 -0.325995D+00  0.284596D+01 -0.162709D+00  0.170216D+01
      3  -0.174452D+00 -0.130513D+01 -0.162709D+00 -0.578688D+00 -0.444710D+01
                56            57            58            59            60 
      1   0.170216D+01 -0.444710D+01 -0.196916D+00  0.289768D+01 -0.572651D+00
      2   0.250010D+01  0.198907D+00  0.289768D+01  0.387545D+00 -0.226345D+01
      3   0.198907D+00 -0.556472D+00 -0.572651D+00 -0.226345D+01  0.105846D+01
                61            62            63            64            65 
      1  -0.314402D+01 -0.333630D+00 -0.655903D+00  0.104859D+02 -0.169308D+01
      2  -0.333630D+00 -0.150330D+01  0.132959D+01 -0.169308D+01 -0.137395D+01
      3  -0.655903D+00  0.132959D+01  0.496692D+00  0.520942D+01 -0.610700D+00
                66            67            68            69            70 
      1   0.520942D+01 -0.487338D+01 -0.421527D+00 -0.198322D+01  0.413547D+01
      2  -0.610700D+00 -0.421527D+00 -0.696292D+00  0.169647D+01  0.208887D-01
      3   0.239607D+01 -0.198322D+01  0.169647D+01 -0.736050D+00  0.242402D+01
                71            72            73            74            75 
      1   0.208887D-01  0.242402D+01 -0.107900D+02 -0.115514D+01 -0.530942D+01
      2   0.112911D+01 -0.279158D+00 -0.115514D+01  0.146914D+01 -0.456098D+00
      3  -0.279158D+00 -0.173751D+01 -0.530942D+01 -0.456098D+00 -0.242329D+01
                76            77            78            79            80 
      1  -0.437362D+01  0.650532D+00 -0.183286D+01 -0.412495D+01  0.148911D+00
      2   0.650532D+00 -0.792179D+00 -0.159368D+01  0.148911D+00 -0.113512D+01
      3  -0.183286D+01 -0.159368D+01 -0.632089D+00 -0.243350D+01 -0.175336D+00
                81            82            83            84            85 
      1  -0.243350D+01 -0.482090D+00  0.182171D+01  0.898359D+00  0.270292D+01
      2  -0.175336D+00  0.182171D+01  0.188919D+01 -0.129405D+01  0.469021D+01
      3   0.173963D+01  0.898359D+00 -0.129405D+01  0.137335D+01 -0.208277D+01
                86            87            88            89            90 
      1   0.469021D+01 -0.208277D+01  0.259925D+00 -0.119683D+01  0.224494D+01
      2   0.938252D+01 -0.541062D+01 -0.119683D+01 -0.315550D+01  0.112122D+01
      3  -0.541062D+01  0.132161D+01  0.224494D+01  0.112122D+01  0.735287D+00
                91            92            93            94            95 
      1  -0.130851D+01 -0.509629D+00 -0.243877D+01 -0.803961D+00 -0.235441D+01
      2  -0.509629D+00 -0.284427D+00  0.598178D+00 -0.235441D+01 -0.501927D+01
      3  -0.243877D+01  0.598178D+00 -0.158211D+01  0.647191D+00  0.489568D+01
                96            97            98            99           100 
      1   0.647191D+00 -0.299856D+01  0.129411D+01 -0.219372D+01  0.115677D+02
      2   0.489568D+01  0.129411D+01  0.645801D+01 -0.205849D+01 -0.234897D+01
      3  -0.977602D+00 -0.219372D+01 -0.205849D+01  0.218216D+00  0.345201D+01
               101           102           103           104           105 
      1  -0.234897D+01  0.345201D+01  0.227861D+00  0.102157D+01  0.343752D+00
      2   0.141951D+01 -0.607566D+00  0.102157D+01 -0.868584D+00  0.689960D+00
      3  -0.607566D+00  0.219454D+01  0.343752D+00  0.689960D+00 -0.209748D+00
               106           107           108           109           110 
      1   0.327276D+01 -0.655358D+00  0.259818D+01 -0.369914D+00 -0.838268D+00
      2  -0.655358D+00  0.632722D+00 -0.805384D+00 -0.838268D+00 -0.144496D+01
      3   0.259818D+01 -0.805384D+00  0.166684D+01  0.102310D+01  0.538705D+00
               111           112           113           114           115 
      1   0.102310D+01 -0.102298D+01 -0.177456D+00  0.103353D+00  0.123381D+01
      2   0.538705D+00 -0.177456D+00 -0.450343D+01  0.217834D+01 -0.235859D+00
      3  -0.848136D+00  0.103353D+00  0.217834D+01 -0.220333D+01  0.545855D-01
               116           117           118           119           120 
      1  -0.235859D+00  0.545855D-01  0.377598D+01 -0.263489D+01 -0.125656D+01
      2   0.196561D+01 -0.180079D+01 -0.263489D+01  0.274878D+01  0.642385D+00
      3  -0.180079D+01  0.227651D+01 -0.125656D+01  0.642385D+00  0.109864D+01
               121           122           123           124           125 
      1  -0.424614D+01  0.492741D+01  0.155028D+01 -0.157262D+01  0.132474D+01
      2   0.492741D+01 -0.731251D+01 -0.259029D+01  0.132474D+01 -0.203667D+01
      3   0.155028D+01 -0.259029D+01 -0.172198D+01  0.176356D+01 -0.181849D+01
               126           127           128           129           130 
      1   0.176356D+01  0.323166D+01  0.946177D+00 -0.170013D+01  0.215206D+01
      2  -0.181849D+01  0.946177D+00  0.114966D+01 -0.447482D+00  0.150980D+01
      3  -0.143334D+01 -0.170013D+01 -0.447482D+00  0.157934D+01 -0.840027D+00
               131           132           133           134           135 
      1   0.150980D+01 -0.840027D+00 -0.204147D+01 -0.159860D+00  0.159995D+01
      2   0.192937D+01 -0.144311D+01 -0.159860D+00 -0.117767D+01  0.750986D+00
      3  -0.144311D+01  0.168372D+01  0.159995D+01  0.750986D+00 -0.217820D+01
               136           137           138           139           140 
      1  -0.420483D+01 -0.279654D+01  0.135556D+01 -0.450292D+01 -0.492459D+01
      2  -0.279654D+01 -0.281698D+01  0.697127D+00 -0.492459D+01 -0.675792D+01
      3   0.135556D+01  0.697127D+00 -0.117316D+01  0.160620D+01  0.249391D+01
               141           142           143           144           145 
      1   0.160620D+01  0.169352D+01  0.134341D+01 -0.184369D+01 -0.306503D+01
      2   0.249391D+01  0.134341D+01  0.192367D+01 -0.174305D+01  0.967453D+00
      3  -0.167463D+01 -0.184369D+01 -0.174305D+01  0.143655D+01  0.164329D+01
               146           147           148           149           150 
      1   0.967453D+00  0.164329D+01  0.216135D+01 -0.156009D+01 -0.848774D+00
      2  -0.114961D+01 -0.455940D+00 -0.156009D+01  0.211658D+01  0.149945D+01
      3  -0.455940D+00 -0.150407D+01 -0.848774D+00  0.149945D+01  0.174845D+01
               151           152           153           154           155 
      1   0.202696D+01 -0.195159D+00 -0.156404D+01 -0.117314D+02 -0.195197D+01
      2  -0.195159D+00  0.119258D+01  0.817695D+00 -0.195197D+01 -0.126887D+01
      3  -0.156404D+01  0.817695D+00  0.217085D+01 -0.346091D+01 -0.490255D+00
               156           157           158           159           160 
      1  -0.346091D+01  0.639769D+00 -0.982926D+00  0.461840D+00 -0.333307D+01
      2  -0.490255D+00 -0.982926D+00 -0.727114D+00 -0.684727D+00 -0.542316D+00
      3  -0.220392D+01  0.461840D+00 -0.684727D+00 -0.115636D+00 -0.263496D+01
               161           162           163           164           165 
      1  -0.542316D+00 -0.263496D+01  0.258274D+00 -0.789182D+00 -0.997965D+00
      2  -0.582836D+00 -0.694344D+00 -0.789182D+00  0.132207D+01  0.488195D+00
      3  -0.694344D+00 -0.167041D+01 -0.997965D+00  0.488195D+00  0.751324D+00
               166           167           168           169           170 
      1  -0.103621D+01  0.612271D-01  0.522650D-01 -0.125955D+01 -0.266481D+00
      2   0.612271D-01 -0.458110D+01 -0.220335D+01 -0.266481D+00 -0.194300D+01
      3   0.522650D-01 -0.220335D+01 -0.223662D+01 -0.132931D+00 -0.179510D+01
               171           172           173           174           175 
      1  -0.132931D+00 -0.246921D+01  0.176859D+01  0.711603D-01  0.383764D+01
      2  -0.179510D+01  0.176859D+01 -0.238926D+01  0.403543D+00 -0.140893D+01
      3  -0.227239D+01  0.711603D-01  0.403543D+00 -0.452484D+00  0.152242D+01
               176           177           178           179           180 
      1  -0.140893D+01  0.152242D+01  0.182764D+01  0.492680D+00  0.313828D+00
      2   0.348591D+01 -0.194519D+00  0.492680D+00  0.111245D+00  0.703632D+00
      3  -0.194519D+00  0.125822D+01  0.313828D+00  0.703632D+00 -0.198827D+00
               181           182           183           184           185 
      1   0.153902D+01  0.386342D+00  0.276415D+00 -0.101470D+00 -0.695999D+00
      2   0.386342D+00 -0.627773D+00  0.487255D-01 -0.695999D+00  0.106092D+00
      3   0.276415D+00  0.487255D-01  0.807162D+00  0.303234D-01 -0.798743D+00
               186           187           188           189           190 
      1   0.303234D-01 -0.205161D+01 -0.241142D+00 -0.148598D+01  0.155681D+01
      2  -0.798743D+00 -0.241142D+00 -0.108123D+01  0.695455D+00  0.593080D-01
      3   0.139899D+00 -0.148598D+01  0.695455D+00 -0.748487D+01 -0.693206D+00
               191           192           193           194           195 
      1   0.593080D-01 -0.693206D+00 -0.189388D+01  0.822211D+00 -0.272165D-01
      2   0.228625D+01 -0.112316D+01  0.822211D+00 -0.624327D+01  0.100355D+01
      3  -0.112316D+01  0.762571D+00 -0.272165D-01  0.100355D+01 -0.111960D+01
               196           197           198           199           200 
      1  -0.985700D+00 -0.998661D+00  0.699235D+00 -0.395726D+00  0.261948D+00
      2  -0.998661D+00 -0.824833D+00 -0.183304D+00  0.261948D+00  0.752358D+00
      3   0.699235D+00 -0.183304D+00  0.297477D+00  0.449454D+00 -0.402217D+00
               201           202           203           204           205 
      1   0.449454D+00  0.634012D+00  0.119953D+01 -0.506668D+00  0.152132D+01
      2  -0.402217D+00  0.119953D+01  0.222013D+00  0.838985D-01  0.564556D+00
      3   0.316758D+00 -0.506668D+00  0.838985D-01  0.665250D+00 -0.362253D+00
               206           207           208           209           210 
      1   0.564556D+00 -0.362253D+00 -0.164963D+01 -0.203378D-01  0.639207D+00
      2   0.150709D+01 -0.150776D+01 -0.203378D-01 -0.255842D+01 -0.119121D+01
      3  -0.150776D+01  0.733943D+01  0.639207D+00 -0.119121D+01 -0.809167D+00
               211           212           213           214           215 
      1  -0.190618D+01 -0.101346D+01 -0.989162D-01  0.901853D+00 -0.999429D+00
      2  -0.101346D+01 -0.605382D+01 -0.939571D+00 -0.999429D+00  0.923458D+00
      3  -0.989162D-01 -0.939571D+00 -0.108162D+01 -0.706082D+00 -0.150899D+00
               216           217           218           219           220 
      1  -0.706082D+00  0.438227D+00  0.156747D+00 -0.488622D+00  0.505783D+00
      2  -0.150899D+00  0.156747D+00 -0.758343D+00 -0.384324D+00 -0.121951D+01
      3  -0.292331D+00 -0.488622D+00 -0.384324D+00 -0.290697D+00 -0.486664D+00
               221           222           223           224           225 
      1  -0.121951D+01 -0.486664D+00 -0.147170D+01  0.564827D+00  0.292370D+00
      2   0.355783D+00 -0.471883D-01  0.564827D+00 -0.155993D+01 -0.153223D+01
      3  -0.471883D-01  0.667968D+00  0.292370D+00 -0.153223D+01 -0.733702D+01
               226           227           228           229           230 
      1   0.277864D+01  0.181618D+01  0.792105D-02  0.383434D+01  0.130950D+01
      2   0.181618D+01  0.238090D+01  0.410972D+00  0.130950D+01  0.327104D+01
      3   0.792105D-02  0.410972D+00  0.503740D+00  0.152690D+01  0.110242D+00
               231           232           233           234           235 
      1   0.152690D+01 -0.178131D+01  0.565209D+00 -0.283807D+00 -0.150036D+01
      2   0.110242D+00  0.565209D+00 -0.157343D+00  0.716621D+00  0.507551D+00
      3   0.123694D+01 -0.283807D+00  0.716621D+00  0.198629D+00 -0.270964D+00
               236           237           238           239           240 
      1   0.507551D+00 -0.270964D+00  0.219601D-01  0.680965D+00  0.754057D-01
      2   0.592778D+00  0.943151D-01  0.680965D+00  0.200521D-01  0.792743D+00
      3   0.943151D-01 -0.800462D+00  0.754057D-01  0.792743D+00  0.174123D+00
               241           242           243           244           245 
      1   0.202718D+01 -0.282400D+00  0.151376D+01  0.123674D+01 -0.458322D+00
      2  -0.282400D+00  0.110300D+01  0.630300D+00 -0.458322D+00  0.100078D+00
      3   0.151376D+01  0.630300D+00  0.748093D+01  0.248049D+01  0.268787D+00
               246           247           248           249           250 
      1   0.248049D+01 -0.660663D+00  0.218140D+01  0.321741D+00  0.309433D+01
      2   0.268787D+00  0.218140D+01 -0.523800D+01 -0.493690D+01  0.870813D+00
      3   0.153632D+01  0.321741D+00 -0.493690D+01 -0.104649D+01  0.209908D+01
               251           252           253           254           255 
      1   0.870813D+00  0.209908D+01  0.743426D+00  0.150444D+01 -0.104198D+01
      2  -0.655755D+01 -0.215227D+01  0.150444D+01 -0.159906D+01 -0.100087D+01
      3  -0.215227D+01 -0.218748D+00 -0.104198D+01 -0.100087D+01 -0.130800D+01
               256           257           258           259           260 
      1   0.226643D+01 -0.444198D+01 -0.179386D+01 -0.358540D+00 -0.103762D+01
      2  -0.444198D+01  0.985751D+01  0.554061D+01 -0.103762D+01  0.325862D+01
      3  -0.179386D+01  0.554061D+01  0.137424D+01 -0.219091D+01  0.121669D+01
               261           262           263           264           265 
      1  -0.219091D+01  0.556646D+01  0.757615D+00 -0.267311D+01 -0.229004D-01
      2   0.121669D+01  0.757615D+00  0.258593D+01 -0.645102D+00  0.118517D+00
      3  -0.733783D+00 -0.267311D+01 -0.645102D+00  0.208848D+01  0.464596D+00
               266           267           268           269           270 
      1   0.118517D+00  0.464596D+00 -0.171478D+01  0.214011D+00  0.119460D+01
      2  -0.111356D+01  0.705205D+00  0.214011D+00  0.450138D+00  0.476244D-02
      3   0.705205D+00 -0.422921D+00  0.119460D+01  0.476244D-02 -0.184729D+01
               271           272           273           274           275 
      1  -0.477993D+00 -0.616684D+00 -0.718657D+00  0.125897D+00 -0.942679D+00
      2  -0.616684D+00 -0.251479D+01  0.118184D+01 -0.942679D+00 -0.258801D+00
      3  -0.718657D+00  0.118184D+01 -0.212730D+01  0.446578D+00 -0.159842D+00
               276           277           278           279           280 
      1   0.446578D+00 -0.107515D+01 -0.106964D+00 -0.507004D+00  0.425844D+01
      2  -0.159842D+00 -0.106964D+00 -0.167245D+01  0.136367D+01  0.125446D+01
      3   0.487009D+00 -0.507004D+00  0.136367D+01 -0.587659D+01  0.166148D+01
               281           282           283           284           285 
      1   0.125446D+01  0.166148D+01  0.544358D+00  0.126572D+01  0.101156D+00
      2   0.213650D+01  0.428533D+00  0.126572D+01  0.996441D+00  0.300324D+00
      3   0.428533D+00  0.150337D+01  0.101156D+00  0.300324D+00  0.272359D+00
               286           287           288           289           290 
      1   0.268923D+01  0.498726D+00  0.181804D+01  0.102713D+01  0.179964D+01
      2   0.498726D+00  0.867722D+00  0.992137D+00  0.179964D+01  0.132471D+01
      3   0.181804D+01  0.992137D+00  0.219742D+01 -0.419104D+00 -0.586470D+00
               291           292           293           294           295 
      1  -0.419104D+00  0.155306D+01  0.190800D+01 -0.664594D+00 -0.435492D+00
      2  -0.586470D+00  0.190800D+01  0.983816D+01 -0.318698D+01 -0.147751D+01
      3   0.495914D+00 -0.664594D+00 -0.318698D+01  0.203783D+01  0.105754D+01
               296           297           298           299           300 
      1  -0.147751D+01  0.105754D+01 -0.805417D+00  0.171017D+01  0.368804D+00
      2  -0.565450D+01  0.336991D+01  0.171017D+01 -0.103926D+01 -0.461053D+00
      3   0.336991D+01 -0.262084D+01  0.368804D+00 -0.461053D+00 -0.404607D+00
               301           302           303           304           305 
      1   0.143734D+01 -0.161122D+01 -0.539411D+00  0.314585D+00 -0.124056D+01
      2  -0.161122D+01  0.100492D+02  0.323566D+01 -0.124056D+01  0.577388D+01
      3  -0.539411D+00  0.323566D+01  0.205670D+01 -0.906747D+00  0.341219D+01
               306           307           308           309           310 
      1  -0.906747D+00 -0.412235D+01  0.128864D+01 -0.163567D+01  0.618179D+00
      2   0.341219D+01  0.128864D+01 -0.219943D+01  0.489714D+00 -0.129994D+01
      3   0.261869D+01 -0.163567D+01  0.489714D+00 -0.148976D+01  0.159986D+00
               311           312           313           314           315 
      1  -0.129994D+01  0.159986D+00 -0.264150D+01  0.577633D+00 -0.177244D+01
      2   0.121005D+01 -0.326044D+00  0.577633D+00 -0.912979D+00  0.107101D+01
      3  -0.326044D+00  0.338448D+00 -0.177244D+01  0.107101D+01 -0.219741D+01
               316           317           318           319           320 
      1  -0.549077D+01  0.881067D+00  0.266184D+01  0.207381D+00 -0.207123D+00
      2   0.881067D+00 -0.270842D+01 -0.795336D+00 -0.207123D+00 -0.983068D+00
      3   0.266184D+01 -0.795336D+00 -0.210771D+01  0.315366D+00 -0.689525D+00
               321           322           323           324           325 
      1   0.315366D+00  0.173356D+01  0.116501D+00 -0.119547D+01  0.435888D+00
      2  -0.689525D+00  0.116501D+00 -0.462573D+00  0.596090D-01 -0.482087D+00
      3  -0.328622D+00 -0.119547D+01  0.596090D-01  0.185039D+01  0.790046D+00
               326           327           328           329           330 
      1  -0.482087D+00  0.790046D+00  0.189988D+00  0.945099D+00  0.418593D+00
      2   0.254749D+01  0.115337D+01  0.945099D+00 -0.455705D+00  0.886624D-01
      3   0.115337D+01  0.214537D+01  0.418593D+00  0.886624D-01  0.394066D+00
               331           332           333 
      1   0.106499D+01 -0.797229D-01  0.568567D+00
      2  -0.797229D-01  0.167600D+01  0.133885D+01
      3   0.568567D+00  0.133885D+01  0.587134D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.336444D+00  0.209275D+01 -0.310187D+01  0.313033D+01  0.582110D+01
      2   0.263293D+01 -0.802330D-01  0.997528D+01 -0.534849D+00 -0.124323D+02
      3  -0.280589D+01 -0.102770D+02 -0.166692D+01 -0.613891D+01  0.518362D+01
                 6             7             8             9            10 
      1  -0.259307D+01 -0.275300D+00 -0.777554D+00 -0.680332D+00 -0.408612D+01
      2  -0.345068D+01  0.251893D+01  0.900097D+00  0.153942D+00  0.100419D+02
      3   0.949442D+01 -0.124547D+01  0.103252D+02  0.343897D+01  0.407221D+01
                11            12            13            14            15 
      1   0.486036D+01 -0.100291D-01  0.469599D+01 -0.104812D+01 -0.779330D+01
      2  -0.400421D+01  0.444287D+01 -0.540430D+01 -0.440761D-01  0.628354D+01
      3   0.622262D+01  0.762938D+01  0.972273D+01 -0.611767D+01 -0.630701D+01
                16            17            18            19            20 
      1  -0.136406D+01 -0.139578D+01 -0.433968D+00 -0.270358D-01 -0.137618D+01
      2   0.166911D+01  0.711959D+00 -0.149110D+00 -0.135819D+02 -0.669353D+01
      3   0.825630D+01 -0.663524D+01 -0.327992D+01 -0.156527D+02 -0.129090D+02
                21            22            23            24            25 
      1   0.642694D+01  0.744382D+01  0.215708D+02 -0.538270D+01  0.129008D+02
      2   0.200582D+00 -0.324694D+01  0.472952D+01 -0.576849D+01 -0.119708D+02
      3   0.431837D+01  0.661387D+01  0.229417D+02 -0.776478D+01  0.312663D+01
                26            27            28            29            30 
      1   0.172955D+02 -0.211792D+02 -0.181349D+00 -0.373498D+01  0.344139D-01
      2  -0.110997D+02  0.123076D+02 -0.348149D+01  0.271447D+00 -0.833174D+00
      3  -0.167150D+01  0.590067D+00  0.751201D-02 -0.418553D-01 -0.432076D-01
                31            32            33            34            35 
      1  -0.190081D+01  0.204706D+00  0.130708D+01 -0.892321D-01 -0.171441D+01
      2   0.771644D-01  0.129598D+01  0.551329D-02  0.218174D+01  0.125293D+00
      3  -0.183301D+01 -0.227028D-01  0.144936D+01  0.471350D-01  0.754349D+00
                36            37            38            39            40 
      1   0.772285D-01 -0.317428D+00 -0.204335D+01 -0.659097D+01  0.667455D+01
      2  -0.405239D+00 -0.130735D+02  0.751981D+01  0.736623D+00  0.376632D+01
      3  -0.221211D-01  0.152191D+02 -0.145909D+02 -0.461759D+01  0.491599D+01
                41            42            43            44            45 
      1  -0.215966D+02 -0.483356D+01 -0.125640D+02  0.183752D+02  0.216485D+02
      2   0.518393D+01  0.596508D+01 -0.108807D+02  0.107722D+02  0.113139D+02
      3  -0.225758D+02 -0.755016D+01 -0.318647D+01 -0.143891D+01 -0.594282D+00
                46            47            48            49            50 
      1   0.495020D+01  0.485481D+01 -0.162392D+00  0.474598D+01  0.628900D+00
      2   0.102378D+02  0.334984D+01  0.418210D+01  0.473420D+01 -0.448306D+00
      3  -0.338775D+01  0.659009D+01 -0.790928D+01  0.101079D+02  0.539554D+01
                51            52            53            54            55 
      1  -0.806415D+01  0.136110D+01 -0.149579D+01  0.439435D+00  0.640254D+00
      2  -0.613689D+01  0.155623D+01 -0.727185D+00 -0.156864D+00  0.262564D+01
      3  -0.596939D+01 -0.853205D+01 -0.629309D+01  0.330265D+01  0.214432D+01
                56            57            58            59            60 
      1   0.178139D+01  0.339902D+01  0.285999D+01 -0.658482D+01 -0.258926D+01
      2  -0.646068D+00  0.996879D+01 -0.221691D+00 -0.121623D+02  0.314122D+01
      3  -0.105626D+02  0.208488D+01 -0.642873D+01 -0.443460D+01  0.941122D+01
                61            62            63            64            65 
      1   0.336845D+00 -0.828250D+00  0.671813D+00 -0.691268D+01 -0.996945D+01
      2   0.246162D+01 -0.959872D+00  0.109421D+00  0.186804D+02 -0.206864D+01
      3   0.170139D+01  0.102708D+02 -0.344876D+01  0.108011D+02  0.881345D+01
                66            67            68            69            70 
      1  -0.529175D+01 -0.169395D+02  0.275936D+01 -0.705235D+01 -0.269956D+01
      2   0.390570D+00  0.541366D+01  0.541763D+01  0.511014D+01 -0.262015D+02
      3   0.440836D+01  0.271046D+02 -0.293804D+01  0.756161D+01 -0.316405D+00
                71            72            73            74            75 
      1   0.229069D+01 -0.302124D+00  0.657547D+01 -0.102851D+02  0.503489D+01
      2   0.284643D+01 -0.251971D+02  0.183398D+02  0.198197D+01 -0.458844D-01
      3   0.397715D+01  0.786806D+00 -0.930063D+01  0.938270D+01 -0.411807D+01
                76            77            78            79            80 
      1  -0.176090D+02 -0.139244D+01 -0.750464D+01  0.171941D+01  0.208182D+01
      2  -0.515903D+01  0.568286D+01 -0.480622D+01 -0.263788D+02 -0.185553D+01
      3   0.277000D+02  0.142775D+01  0.776480D+01  0.384514D+00  0.397392D+01
                81            82            83            84            85 
      1  -0.773305D+00 -0.490006D+01  0.321173D+01  0.183906D+01  0.154685D+01
      2  -0.252018D+02 -0.143768D+02 -0.138249D+02  0.135265D+02 -0.476702D+01
      3  -0.801259D+00 -0.197500D+02 -0.222847D+02  0.144541D+02 -0.295683D+01
                86            87            88            89            90 
      1   0.142026D+02  0.372872D+01  0.823658D+01  0.229656D+02 -0.143854D+02
      2  -0.356894D-01 -0.396199D+01 -0.278435D+01 -0.135583D+02  0.114432D+02
      3   0.108992D+02  0.203854D+00  0.750884D+01 -0.158936D+01  0.277637D+01
                91            92            93            94            95 
      1   0.808309D+01  0.339143D+01  0.727203D+01  0.479862D+01 -0.894909D+01
      2  -0.203413D+01  0.101189D+01 -0.270761D+00 -0.581126D-01  0.257741D+01
      3  -0.739263D+01 -0.133626D+01 -0.617662D+01  0.499713D+01  0.118811D+01
                96            97            98            99           100 
      1  -0.545686D+01  0.559676D+01 -0.314807D+01  0.164225D+01  0.821343D+00
      2  -0.475511D+00 -0.356399D+01  0.404659D+00 -0.467823D+00 -0.373370D+01
      3  -0.735197D+01 -0.111809D+02 -0.769465D+01 -0.622183D+01 -0.810014D+01
               101           102           103           104           105 
      1   0.205621D+01  0.287525D+01 -0.396561D+00  0.114814D+01 -0.112005D+01
      2   0.176642D+01  0.465233D+01 -0.227753D+01  0.197610D+01 -0.170085D+01
      3  -0.404386D+01 -0.343889D+01 -0.585089D+00 -0.397541D+00 -0.175739D+01
               106           107           108           109           110 
      1   0.208623D+01  0.106451D+01  0.141205D+01  0.141421D+01 -0.145130D+01
      2   0.210515D+01 -0.464537D+00  0.247664D+01  0.495435D+01  0.238394D+01
      3  -0.133375D+01 -0.286591D+01 -0.100063D+01  0.539466D+01  0.569524D+01
               111           112           113           114           115 
      1  -0.192451D+01 -0.329326D+00 -0.143109D+01 -0.305958D+01 -0.308581D+00
      2  -0.367412D+01  0.150340D+01  0.678015D+01 -0.647501D+01 -0.326048D+01
      3  -0.361905D+01  0.493549D+01  0.131213D+02 -0.667262D+01 -0.178157D+01
               116           117           118           119           120 
      1   0.151183D+00  0.222369D+01 -0.801047D+00 -0.235000D+00  0.217405D+01
      2  -0.499329D+01  0.614742D+01 -0.103415D+01  0.684593D+00  0.369266D+01
      3  -0.555514D+01  0.585249D+01  0.238110D+00 -0.375501D+01  0.449200D-01
               121           122           123           124           125 
      1  -0.291546D+01  0.302992D+01 -0.232195D+01  0.125571D+01 -0.490082D+00
      2  -0.336994D+01 -0.220633D+00 -0.347550D+01  0.847015D+00 -0.287320D+01
      3  -0.295818D+00  0.897130D+01  0.385228D+01  0.183864D+01  0.245291D+01
               126           127           128           129           130 
      1  -0.143889D+01 -0.441023D+01 -0.180634D+01  0.281457D+01 -0.291005D+01
      2  -0.218732D+01 -0.230848D+01  0.240478D+00  0.379144D+01  0.856014D+00
      3   0.100570D+01 -0.768363D+01 -0.625169D+01  0.446430D+01 -0.684905D+01
               131           132           133           134           135 
      1  -0.583389D+01  0.387541D+01  0.275405D+01  0.442925D+01 -0.432666D+01
      2  -0.340266D+01  0.563357D+01  0.127457D+01  0.258177D+01 -0.490006D+01
      3  -0.112958D+02  0.610531D+01  0.415639D+01  0.434217D+01 -0.584157D+01
               136           137           138           139           140 
      1   0.618271D+00 -0.421079D+00 -0.210353D+01 -0.292799D+01 -0.289826D+01
      2  -0.946430D+00 -0.639807D+00  0.393844D+01  0.353478D+01 -0.212141D+00
      3  -0.426918D+00 -0.412629D+01  0.122919D+00 -0.670957D+00 -0.877356D+01
               141           142           143           144           145 
      1  -0.207904D+01 -0.122984D+01 -0.308831D+00  0.134404D+01  0.410068D+01
      2   0.340776D+01  0.102236D+01  0.285030D+01 -0.225174D+01 -0.253271D+01
      3   0.385271D+01 -0.172982D+01  0.253243D+01 -0.101036D+01  0.713232D+01
               146           147           148           149           150 
      1  -0.176614D+01 -0.248228D+01 -0.287808D+01  0.588716D+01  0.372922D+01
      2  -0.211570D+00  0.366480D+01 -0.777188D+00 -0.360532D+01 -0.595101D+01
      3  -0.610968D+01 -0.419378D+01 -0.668293D+01  0.118761D+02  0.629115D+01
               151           152           153           154           155 
      1  -0.250267D+01  0.442394D+01  0.409279D+01 -0.909626D+00  0.197045D+01
      2   0.126879D+01 -0.282845D+01 -0.506838D+01 -0.364971D+01 -0.160486D+01
      3  -0.395634D+01  0.452627D+01  0.583463D+01  0.787537D+01 -0.436187D+01
               156           157           158           159           160 
      1  -0.271880D+01 -0.308624D+00 -0.113446D+01 -0.930064D+00 -0.194040D+01
      2   0.485024D+01  0.253940D+01  0.199821D+01  0.154156D+01  0.220770D+01
      3   0.335931D+01 -0.899942D+00  0.602259D+00 -0.190504D+01  0.120365D+01
               161           162           163           164           165 
      1   0.117235D+01 -0.130680D+01 -0.127008D+01 -0.142612D+01  0.164156D+01
      2   0.321510D+00  0.254599D+01  0.486971D+01 -0.225425D+01 -0.346853D+01
      3  -0.292610D+01  0.100084D+01 -0.498432D+01  0.536530D+01  0.333691D+01
               166           167           168           169           170 
      1  -0.262371D+00  0.181231D+01 -0.285879D+01  0.184485D+00  0.359102D+00
      2  -0.143748D+01  0.688307D+01  0.675785D+01 -0.306022D+01  0.511391D+01
      3   0.462329D+01 -0.135974D+02 -0.682953D+01  0.154866D+01 -0.562238D+01
               171           172           173           174           175 
      1  -0.195481D+01 -0.216486D+01  0.288121D+01 -0.200087D+00  0.454134D+01
      2   0.622299D+01 -0.172121D+01  0.184264D+01  0.193957D+01  0.549208D+01
      3  -0.584578D+01  0.281123D+01 -0.497028D+01  0.286259D+00 -0.426201D+01
               176           177           178           179           180 
      1  -0.758821D+01  0.273519D+00  0.149903D+01 -0.619657D+00 -0.319522D+00
      2  -0.164727D+01  0.194124D+00  0.386937D+01 -0.108719D+01  0.916761D+00
      3   0.103964D+02 -0.149738D+01 -0.785844D+00  0.214642D+01  0.489079D+00
               181           182           183           184           185 
      1  -0.213753D+01 -0.796893D+00 -0.980266D+00  0.359196D-01 -0.643398D+00
      2   0.111380D+00  0.814370D+00 -0.357151D+01 -0.695881D+00  0.189475D+01
      3   0.170930D+01  0.197580D-01  0.428006D+00  0.661961D+00  0.640042D+00
               186           187           188           189           190 
      1   0.755746D+00  0.103583D+01  0.279709D+01 -0.488924D+00  0.663257D+00
      2  -0.523424D+00  0.272742D+00 -0.241984D+01  0.162905D+02 -0.306308D+01
      3  -0.169765D+01 -0.142023D+01 -0.248064D+01  0.171838D+01 -0.386821D+01
               191           192           193           194           195 
      1   0.494057D+01 -0.102004D+01  0.117836D+01 -0.737250D+01 -0.117349D+01
      2   0.219887D+01  0.117394D+00  0.275267D+01 -0.333693D+01  0.136955D+01
      3   0.504415D+01 -0.175925D+01  0.548755D+01 -0.917897D+01  0.141156D+01
               196           197           198           199           200 
      1  -0.869107D+00 -0.362844D+01  0.200995D+00  0.382402D+00 -0.146071D+01
      2  -0.196724D-01  0.816181D+00 -0.724861D+00 -0.172252D+01  0.440105D+00
      3   0.100169D+01 -0.140642D+01 -0.639600D+00 -0.114125D+01 -0.104480D+01
               201           202           203           204           205 
      1   0.143071D+01 -0.916255D+00 -0.270232D+00  0.307420D+01 -0.266456D+00
      2  -0.116699D+01 -0.915851D+00 -0.139986D+01 -0.588105D+00 -0.307913D+01
      3  -0.121723D+01 -0.388350D+00 -0.118411D+01  0.130630D+01 -0.282914D+01
               206           207           208           209           210 
      1  -0.981135D+00  0.133918D+02 -0.510508D+00  0.518844D+01  0.950616D+00
      2   0.135626D+01 -0.929093D+01 -0.329368D+01 -0.242242D+01  0.332156D-01
      3   0.120915D+00 -0.149384D+01  0.439540D+01  0.524024D+01  0.180257D+01
               211           212           213           214           215 
      1   0.139591D+01  0.693867D+01 -0.128593D+01  0.711084D+00 -0.371994D+01
      2  -0.281764D+01 -0.341753D+01 -0.131812D+01 -0.675877D-01 -0.647267D+00
      3   0.571779D+01  0.871179D+01  0.132235D+01 -0.107217D+01 -0.136730D+01
               216           217           218           219           220 
      1  -0.232837D+00 -0.558594D+00 -0.145565D+01 -0.135125D+01 -0.835570D+00
      2  -0.718572D+00 -0.167999D+01 -0.367536D+00 -0.108473D+01  0.966226D+00
      3   0.634688D+00  0.108425D+01 -0.103846D+01  0.127813D+01 -0.383309D+00
               221           222           223           224           225 
      1   0.313231D+00  0.313145D+01  0.854247D-01 -0.107716D+01 -0.137801D+02
      2  -0.143852D+01  0.491889D+00 -0.312833D+01 -0.118875D+01 -0.869478D+01
      3   0.125027D+01  0.124958D+01  0.283159D+01  0.870593D-03  0.151214D+01
               226           227           228           229           230 
      1   0.235771D+01  0.305262D+01  0.253361D+00  0.451079D+01  0.721484D+01
      2  -0.211136D+01 -0.200194D+01  0.195323D+01 -0.566076D+01 -0.167401D+01
      3  -0.315845D+01 -0.530810D+01 -0.296581D+00 -0.456514D+01 -0.100186D+02
               231           232           233           234           235 
      1   0.243667D+00 -0.136383D+01 -0.500672D+00  0.345660D+00  0.209299D+01
      2  -0.267742D+00  0.397858D+01  0.944483D+00  0.909172D+00  0.213350D-01
      3  -0.146177D+01  0.898099D+00  0.211412D+01 -0.484070D+00 -0.167263D+01
               236           237           238           239           240 
      1  -0.884290D+00  0.861815D+00  0.218259D-02  0.758480D+00  0.739506D+00
      2  -0.690928D+00 -0.358465D+01  0.782720D+00  0.186911D+01  0.643477D+00
      3   0.661784D-01 -0.501762D+00  0.709276D+00 -0.665798D+00 -0.167809D+01
               241           242           243           244           245 
      1  -0.899057D+00  0.293108D+01  0.118782D+01 -0.777659D+01  0.408664D+01
      2   0.426037D+00  0.227916D+01  0.162459D+02 -0.171655D+01 -0.986210D+00
      3   0.131428D+01 -0.254121D+01 -0.171322D+01  0.755057D+01 -0.172976D+01
               246           247           248           249           250 
      1  -0.751344D+01  0.553436D+01  0.866100D+01 -0.509732D+01 -0.588019D+01
      2   0.842390D-01  0.179390D-01  0.222332D+01  0.708595D+00 -0.332148D+01
      3   0.584837D+01  0.461124D+01 -0.133401D+01 -0.761307D+01  0.108311D+02
               251           252           253           254           255 
      1  -0.289854D+01 -0.165153D+01  0.446307D+01  0.299485D+01 -0.107106D+01
      2  -0.117377D+00 -0.390022D+00 -0.137022D+02  0.142670D+02  0.137225D+02
      3  -0.819517D+01  0.621654D+01  0.185492D+02 -0.235576D+02 -0.144050D+02
               256           257           258           259           260 
      1   0.902685D+00 -0.144027D+02  0.395699D+01 -0.731727D+01  0.238737D+02
      2   0.530872D+01 -0.247653D+00  0.317618D+01 -0.188017D+01  0.126072D+02
      3  -0.423591D+01 -0.973249D+01  0.854297D+00 -0.753032D+01 -0.124726D+01
               261           262           263           264           265 
      1   0.148368D+02  0.547890D+01 -0.342744D+01 -0.385646D+01 -0.179667D+01
      2   0.107684D+02  0.732652D+01  0.708524D+00 -0.162131D+01 -0.240255D+01
      3  -0.275728D+01  0.125888D+02 -0.285607D+01 -0.565972D+01 -0.344104D+01
               266           267           268           269           270 
      1   0.274588D+01  0.114801D-01 -0.322293D+01  0.119798D+01  0.297099D+01
      2  -0.103971D+01  0.872791D+00 -0.835039D+00  0.278491D+00  0.352633D+00
      3   0.186906D+01  0.182669D+01 -0.261239D+01 -0.907446D-01  0.311633D+01
               271           272           273           274           275 
      1   0.129722D+01  0.749499D+00  0.396964D+01 -0.612617D+00  0.223057D+00
      2  -0.134797D+01  0.334348D+01 -0.509370D+01  0.135133D+01  0.634546D+00
      3  -0.414727D+00  0.309875D+01 -0.334229D+01  0.192998D+01  0.107536D+01
               276           277           278           279           280 
      1  -0.368585D+00  0.807099D+00  0.172655D+00  0.942638D+01 -0.687011D+01
      2  -0.261136D+00 -0.276956D+01  0.225194D+01 -0.830224D+01  0.255672D+01
      3   0.304956D+00 -0.130967D+01  0.210328D+01 -0.248197D+01  0.142911D+02
               281           282           283           284           285 
      1  -0.147203D+01 -0.549553D+01 -0.502537D+00 -0.125647D+01 -0.847105D+00
      2   0.570958D+00  0.359847D+01  0.771287D-01  0.506267D+00  0.913198D-01
      3  -0.676298D+00  0.586423D+01 -0.310695D-01  0.477864D+01 -0.285132D+00
               286           287           288           289           290 
      1  -0.644824D+01 -0.925817D+00 -0.882310D+01  0.694925D-01  0.265987D+00
      2   0.134861D+01  0.139484D+01  0.340191D+01  0.180477D+00  0.371066D+00
      3   0.980051D+01 -0.255458D+00  0.514059D+01  0.213602D+01  0.375321D+01
               291           292           293           294           295 
      1  -0.176334D+01  0.158980D+01  0.345786D+01 -0.690476D+01 -0.137869D+01
      2   0.733701D+00  0.249176D+00 -0.170755D+01  0.169857D+01 -0.805286D+00
      3  -0.111475D+01  0.501874D+01 -0.313323D+01  0.202083D+00 -0.693941D+00
               296           297           298           299           300 
      1  -0.132768D+01  0.674300D+01  0.115610D-01  0.896528D-01  0.148180D+01
      2   0.156250D+01 -0.170391D+01  0.149722D+00 -0.457545D+00  0.591129D+00
      3   0.411343D+01  0.210745D+00 -0.173765D+01  0.397193D+01  0.112358D+01
               301           302           303           304           305 
      1   0.142097D+01 -0.360493D+01 -0.704691D+01  0.128000D+01 -0.145815D+01
      2  -0.393981D+00 -0.151651D+01 -0.141832D+01 -0.929453D+00 -0.146120D+01
      3   0.523619D+01  0.273402D+01  0.149984D+00  0.875244D+00  0.407710D+01
               306           307           308           309           310 
      1  -0.681075D+01  0.687453D+01 -0.175408D+01  0.560464D+01 -0.751204D+00
      2  -0.140295D+01  0.222221D+01 -0.585088D+00  0.334141D+01 -0.128254D+00
      3  -0.212462D+00 -0.143076D+02 -0.242399D+00 -0.586876D+01  0.402479D+00
               311           312           313           314           315 
      1   0.137527D+01 -0.110487D+01  0.644624D+01 -0.127122D+01  0.896012D+01
      2   0.473776D+00 -0.206085D+00  0.998148D+00 -0.139545D+01  0.300585D+01
      3  -0.476173D+01 -0.248418D-01 -0.979607D+01  0.185906D+00 -0.513955D+01
               316           317           318           319           320 
      1  -0.537213D+01 -0.334160D+01  0.377765D+01 -0.158099D+01 -0.256642D+01
      2   0.761930D+01 -0.944380D+00 -0.182869D+01  0.209200D+01 -0.990957D+00
      3  -0.128470D+02 -0.236650D+01  0.574615D+01 -0.296234D+01 -0.161554D+01
               321           322           323           324           325 
      1  -0.192172D+00  0.323010D+01  0.103859D+01 -0.295878D+01 -0.135224D+01
      2  -0.793882D+00 -0.100402D+01 -0.297221D+00  0.474129D+00 -0.146838D+01
      3   0.158330D+01  0.261477D+01 -0.198596D+00 -0.311238D+01  0.633047D+00
               326           327           328           329           330 
      1   0.639162D+00 -0.420441D+01 -0.625234D+00 -0.179373D+00 -0.165882D+00
      2  -0.328348D+01 -0.488467D+01 -0.124593D+01  0.853343D+00  0.486236D+00
      3   0.302112D+01  0.334800D+01  0.185252D+01 -0.128669D+01  0.159100D+00
               331           332           333 
      1  -0.908842D+00  0.103355D+00 -0.976845D+01
      2  -0.280438D+01 -0.214297D+01 -0.786361D+01
      3   0.137306D+01  0.205787D+01  0.247388D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.456602D+02 -0.787676D+01 -0.258840D+02 -0.250300D+01  0.185706D+02
      2   0.290672D+02  0.932728D+01  0.142438D+02  0.621619D+01 -0.951603D+01
      3   0.165930D+02 -0.145052D+01  0.116402D+02 -0.371319D+01 -0.905453D+01
      4  -0.192931D+02  0.868981D+01 -0.941274D+01  0.112453D+02  0.548232D+01
      5  -0.292797D+02 -0.251459D+01 -0.589763D+01  0.349620D+01 -0.885103D+01
      6  -0.811238D+01  0.584822D+01 -0.123581D+00  0.418080D+01 -0.956772D+01
                 6             7             8             9            10 
      1   0.752343D+01 -0.195608D+02  0.616541D+01 -0.976760D+00  0.101179D+02
      2  -0.997703D+01  0.113144D+02 -0.816599D+01 -0.353375D+01 -0.693348D+01
      3   0.245359D+01  0.824645D+01  0.200059D+01  0.451051D+01 -0.318438D+01
      4  -0.860508D+01 -0.424075D+01 -0.601158D+01 -0.437483D+01 -0.201032D+01
      5  -0.486478D+01 -0.680748D+01 -0.380351D+01  0.341160D+01  0.119160D+02
      6  -0.966099D+01 -0.275209D+00 -0.779870D+01  0.333792D-01  0.916911D+01
                11            12            13            14            15 
      1   0.189493D+01  0.145585D+02  0.121291D+00 -0.180747D+02 -0.257815D+01
      2  -0.109474D+02 -0.570541D+01 -0.118194D+02  0.425510D+01  0.104870D+02
      3   0.905243D+01 -0.885308D+01  0.116981D+02  0.138196D+02 -0.790886D+01
      4  -0.238501D+02  0.760511D+01 -0.294976D+02 -0.260119D+02  0.198085D+02
      5   0.251739D+00 -0.955890D+01  0.219151D+01  0.223058D+02  0.380347D+01
      6   0.522659D+01 -0.994006D+00  0.111342D+02  0.128027D+02 -0.316408D+01
                16            17            18            19            20 
      1   0.953353D+01 -0.449135D+01 -0.590854D+01  0.145344D+01  0.366669D+01
      2  -0.294611D+01  0.986416D+01  0.232908D+01 -0.481648D+01  0.153779D+01
      3  -0.658742D+01 -0.537281D+01  0.357946D+01  0.336304D+01 -0.520448D+01
      4   0.447246D+01  0.144202D+02  0.367167D+00  0.838298D+01  0.148071D+02
      5  -0.868839D+01  0.208731D+01 -0.265443D+01 -0.434864D+01 -0.295207D+01
      6  -0.157347D+01 -0.422524D+01 -0.311599D+01 -0.833651D+01 -0.686308D+01
                21            22            23            24            25 
      1  -0.733528D+01 -0.124231D+01  0.160784D+02 -0.969871D+00 -0.164446D+01
      2   0.470975D+01  0.397762D+01 -0.194849D+02  0.270709D+01  0.204772D+01
      3   0.262553D+01 -0.273531D+01  0.340646D+01 -0.173722D+01 -0.403262D+00
      4  -0.953683D+01  0.941793D+01  0.927019D+01 -0.535273D+01 -0.495855D+01
      5   0.499550D+01 -0.121594D+01 -0.708364D+01  0.282190D+01  0.523913D+01
      6   0.254629D+01 -0.701332D+01 -0.742183D+00  0.549111D+01  0.107209D+01
                26            27            28            29            30 
      1  -0.176876D+01  0.110576D+02 -0.110461D+02  0.706853D-01  0.474721D+01
      2   0.147233D+01  0.465084D+01  0.308465D+01 -0.658478D-01 -0.612173D+01
      3   0.296434D+00 -0.157084D+02  0.796141D+01 -0.483754D-02  0.137452D+01
      4  -0.218361D+01  0.185060D+01  0.244183D-01 -0.618059D+01 -0.364763D+00
      5   0.524286D+00  0.604083D+01  0.296710D+01 -0.213100D+00 -0.287687D+01
      6   0.360357D+01  0.601549D+01 -0.203114D+00 -0.345521D+01 -0.312576D-02
                31            32            33            34            35 
      1  -0.334366D-01  0.258338D+01 -0.384707D+00  0.841231D+01 -0.563447D+00
      2   0.304239D-01 -0.994699D+01  0.417655D+00 -0.916479D+01  0.593673D+00
      3   0.301269D-02  0.736361D+01 -0.329483D-01  0.752481D+00 -0.302258D-01
      4  -0.759556D+01 -0.910096D-02 -0.628826D+01 -0.581199D+00 -0.883108D+01
      5  -0.207623D+00 -0.370284D+01  0.876889D-02  0.473564D+01 -0.160785D-01
      6  -0.339663D+01  0.248357D+00 -0.245332D+01 -0.982424D-02  0.373253D+01
                36            37            38            39            40 
      1  -0.255241D+00  0.698379D+00 -0.176598D+01 -0.645188D+01  0.267799D+01
      2  -0.292549D+00 -0.439658D+01 -0.344372D+01  0.377619D+01 -0.541531D+01
      3   0.547789D+00  0.369820D+01  0.520969D+01  0.267568D+01  0.273733D+01
      4   0.736825D-02 -0.759418D+01  0.146949D+02  0.975902D+01  0.899887D+01
      5   0.891801D+00 -0.382964D+01  0.249687D+01  0.475766D+01  0.754343D+00
      6  -0.303035D-01  0.788320D+01 -0.724890D+01 -0.251789D+01 -0.733278D+01
                41            42            43            44            45 
      1   0.151744D+02  0.775243D+00 -0.114768D+01  0.163107D+01  0.109051D+02
      2  -0.182437D+02 -0.234809D+01  0.157626D+01 -0.129754D+01  0.480716D+01
      3   0.306924D+01  0.157285D+01 -0.428574D+00 -0.333529D+00 -0.157123D+02
      4  -0.118298D+02 -0.591393D+01  0.501057D+01 -0.253748D+01 -0.211138D+01
      5  -0.718559D+01 -0.275738D+01  0.516028D+01 -0.564634D+00  0.575774D+01
      6   0.171159D+01  0.571811D+01 -0.114487D+01  0.366269D+01 -0.631616D+01
                46            47            48            49            50 
      1   0.998907D+01 -0.503314D+01  0.140050D+02 -0.373386D+01 -0.153924D+02
      2  -0.592313D+01  0.133260D+02 -0.554741D+01  0.146874D+02  0.699920D+00
      3  -0.406594D+01 -0.829285D+01 -0.845760D+01 -0.109536D+02  0.146925D+02
      4  -0.958083D+00 -0.219912D+02 -0.759596D+01 -0.276383D+02  0.291264D+02
      5   0.114242D+02  0.433314D+00 -0.968033D+01 -0.123893D+01  0.217582D+02
      6  -0.896281D+01  0.500577D+01  0.128429D+01  0.109885D+02 -0.144623D+02
                51            52            53            54            55 
      1   0.367179D+01  0.934813D+01  0.531857D+01 -0.595132D+01 -0.432677D+02
      2  -0.119646D+02 -0.302565D+01 -0.109741D+02  0.237930D+01  0.264933D+02
      3   0.829282D+01 -0.632248D+01  0.565552D+01  0.357203D+01  0.167744D+02
      4   0.194906D+02 -0.436800D+01  0.139194D+02 -0.400411D-01  0.231642D+02
      5  -0.356928D+01 -0.869570D+01 -0.194433D+01 -0.248704D+01 -0.288485D+02
      6  -0.303340D+01  0.176015D+01 -0.417838D+01  0.323810D+01  0.976698D+01
                56            57            58            59            60 
      1   0.111952D+02 -0.252983D+02  0.602437D+01  0.173934D+02 -0.717214D+01
      2  -0.115375D+02  0.137935D+02 -0.864506D+01 -0.815853D+01  0.101036D+02
      3   0.342297D+00  0.115047D+02  0.262069D+01 -0.923483D+01 -0.293150D+01
      4   0.663738D+01  0.107310D+02  0.956314D+01 -0.743447D+01 -0.827734D+01
      5   0.362668D+01 -0.565039D+01 -0.247018D+01 -0.843947D+01  0.469824D+01
      6   0.574472D+01 -0.707019D-01  0.434007D+01  0.950086D+01 -0.987594D+01
                61            62            63            64            65 
      1  -0.193689D+02 -0.584326D+01 -0.556808D+00  0.111553D+02 -0.698884D+01
      2   0.112374D+02  0.817443D+01 -0.393725D+01 -0.104552D+02  0.608485D+01
      3   0.813148D+01 -0.233117D+01  0.449406D+01 -0.700097D+00  0.903991D+00
      4   0.528320D+01 -0.559474D+01  0.424341D+01 -0.216619D+02 -0.578585D+01
      5  -0.659855D+01  0.376208D+01  0.339961D+01  0.118573D+02 -0.532304D+01
      6   0.207151D+00 -0.798873D+01 -0.157918D+00 -0.382146D+01 -0.463217D+01
                66            67            68            69            70 
      1   0.678027D+01 -0.115107D+02 -0.861345D+01 -0.383625D+01  0.369295D+01
      2  -0.661762D+01  0.803118D+01  0.143768D+01  0.177052D+01 -0.308195D+01
      3  -0.162645D+00  0.347948D+01  0.717577D+01  0.206574D+01 -0.610997D+00
      4  -0.911793D+01  0.798031D+00 -0.480806D+01  0.703940D+01 -0.462037D+01
      5   0.815353D+01 -0.608934D+01  0.220292D+01 -0.164461D+01  0.480654D+01
      6  -0.148177D+01 -0.231165D+01 -0.203574D+01  0.331512D+01 -0.135711D+01
                71            72            73            74            75 
      1  -0.135441D+01  0.888520D+01  0.137087D+02  0.554530D+01  0.772760D+01
      2   0.304107D+01  0.802958D+01 -0.128466D+02 -0.498489D+01 -0.748059D+01
      3  -0.168666D+01 -0.169148D+02 -0.862032D+00 -0.560411D+00 -0.247009D+00
      4   0.230764D+01 -0.504137D+01  0.203437D+02 -0.699979D+01  0.879423D+01
      5  -0.212830D+01 -0.850429D+01  0.124759D+02  0.469023D+01  0.828345D+01
      6   0.379029D+01  0.793164D+00  0.300050D+01 -0.491287D+01  0.126779D+01
                76            77            78            79            80 
      1   0.106461D+02 -0.895580D+01  0.411753D+01  0.416696D+01  0.136056D+01
      2  -0.750131D+01  0.159933D+01 -0.205879D+01 -0.362039D+01 -0.307233D+01
      3  -0.314478D+01  0.735646D+01 -0.205874D+01 -0.546569D+00  0.171177D+01
      4  -0.726812D+00  0.551186D+01  0.640022D+01  0.438254D+01  0.191473D+01
      5   0.556647D+01  0.182053D+01  0.143834D+01  0.498453D+01  0.208326D+01
      6  -0.262439D+01  0.225632D+01  0.319578D+01  0.130945D+01  0.364403D+01
                81            82            83            84            85 
      1   0.934300D+01 -0.788982D+01 -0.367490D+01  0.107543D+02 -0.686605D+01
      2   0.758737D+01  0.109815D+02  0.363980D+01 -0.350258D+01  0.105161D+02
      3  -0.169304D+02 -0.309168D+01  0.351051D-01 -0.725169D+01 -0.365008D+01
      4   0.498921D+01 -0.688447D+01  0.228169D+01  0.581382D+01  0.204794D+01
      5  -0.854264D+01  0.943122D+01 -0.130350D+01 -0.242478D+01 -0.145883D+01
      6  -0.437009D+00  0.568739D+01 -0.471133D+01  0.496084D+01 -0.359242D+01
                86            87            88            89            90 
      1  -0.192668D+02  0.924380D+01  0.708518D+01  0.455892D+01  0.309179D+01
      2   0.201844D+02 -0.174140D+02 -0.673085D-01 -0.817625D+01  0.556543D+01
      3  -0.917631D+00  0.817019D+01 -0.701788D+01  0.361733D+01 -0.865722D+01
      4   0.524241D+01 -0.358061D+01  0.645490D+01 -0.272086D+01  0.289478D+01
      5  -0.755290D+01  0.195213D+01 -0.132525D+01  0.554063D+00 -0.191076D+01
      6  -0.132545D+02  0.494982D+01  0.381878D+01  0.208105D+01  0.718427D+01
                91            92            93            94            95 
      1  -0.205213D+01  0.181228D+01 -0.700707D+01  0.769599D+01  0.185789D+02
      2  -0.157674D+00 -0.339559D+01  0.442616D+01 -0.137226D+02 -0.251672D+02
      3   0.220981D+01  0.158331D+01  0.258091D+01  0.602666D+01  0.658833D+01
      4  -0.710395D+01 -0.348543D+01 -0.127088D+02 -0.470872D+01 -0.124801D+02
      5  -0.585191D+01 -0.164765D+01 -0.346893D+01 -0.116680D+01  0.752641D+01
      6  -0.129024D+02  0.377032D+01 -0.874491D+01  0.447266D+01  0.311176D+02
                96            97            98            99           100 
      1  -0.164992D+02 -0.992090D+01 -0.212626D+02  0.315155D+01  0.724682D+02
      2   0.313409D+02  0.819690D+01  0.346100D+02 -0.773948D+01 -0.391407D+02
      3  -0.148418D+02  0.172399D+01 -0.133475D+02  0.458793D+01 -0.333275D+02
      4   0.593185D+01 -0.139067D+02  0.931263D+01 -0.123062D+02 -0.334595D+02
      5  -0.530218D+00 -0.489960D+01 -0.375730D+01 -0.179959D+00  0.331682D+02
      6  -0.101437D+02 -0.121228D+02 -0.137483D+02  0.205771D+01 -0.101165D+02
               101           102           103           104           105 
      1  -0.104740D+02  0.202497D+02  0.220729D+01  0.560310D+01  0.230721D+01
      2   0.315334D+01 -0.133090D+02 -0.486018D+01 -0.182010D+01 -0.346476D+01
      3   0.732066D+01 -0.694068D+01  0.265289D+01 -0.378300D+01  0.115755D+01
      4   0.137752D+02 -0.964861D+01  0.105030D+02 -0.555458D+01  0.421127D+01
      5  -0.541428D+01  0.185551D+02  0.755638D+00  0.522423D+01 -0.668069D+00
      6   0.335333D+01 -0.656274D+01  0.293397D+01 -0.318570D+01  0.371565D+01
               106           107           108           109           110 
      1   0.154655D+02 -0.997260D+00  0.114963D+02 -0.251256D+01 -0.940967D+01
      2  -0.124658D+02 -0.439196D+00 -0.930344D+01  0.265923D+01  0.863145D+01
      3  -0.299973D+01  0.143646D+01 -0.219290D+01 -0.146665D+00  0.778220D+00
      4  -0.889632D+01  0.463367D+01 -0.746900D+01 -0.602412D+00 -0.947656D+00
      5   0.217014D+02 -0.449790D+01  0.137314D+02  0.330318D+01 -0.738424D+00
      6  -0.756773D+01  0.459302D+01 -0.488879D+01 -0.521867D+01 -0.580681D+01
               111           112           113           114           115 
      1   0.891255D+01 -0.548190D+01 -0.192458D+02  0.999177D+01  0.583443D+01
      2  -0.487346D+01  0.349419D+01  0.243327D+02 -0.936941D+01 -0.264402D+01
      3  -0.403909D+01  0.198770D+01 -0.508692D+01 -0.622358D+00 -0.319041D+01
      4  -0.212133D+01  0.468262D+01 -0.147156D+02  0.707802D+01 -0.466439D+01
      5  -0.767093D+00 -0.211193D+01  0.726807D+01 -0.887375D+01  0.326544D+01
      6   0.517001D+01 -0.435333D+00 -0.183463D+02  0.144271D+02  0.301903D+00
               116           117           118           119           120 
      1   0.777136D+01 -0.982290D+01  0.151310D+02 -0.101212D+02 -0.549776D+01
      2  -0.592902D+01  0.484220D+01 -0.443776D+00 -0.294938D+01  0.126387D+01
      3  -0.184234D+01  0.498070D+01 -0.146872D+02  0.130706D+02  0.423389D+01
      4   0.716368D+01 -0.550419D+01 -0.254471D+02  0.240457D+02  0.817255D+01
      5  -0.670490D+01  0.808841D+01 -0.113360D+02  0.761447D+01  0.893903D+01
      6   0.131960D+02 -0.133797D+02  0.752196D+01 -0.596334D+01 -0.473244D+01
               121           122           123           124           125 
      1  -0.913248D+01  0.668806D+00 -0.113811D+01 -0.394853D+01 -0.141861D+01
      2  -0.906581D+01  0.242431D+02  0.682055D+01  0.111964D+01  0.363365D+01
      3   0.181983D+02 -0.249119D+02 -0.568244D+01  0.282889D+01 -0.221504D+01
      4   0.346842D+02 -0.473247D+02 -0.160848D+02  0.941149D+01 -0.126073D+02
      5   0.106076D+02 -0.159932D+02 -0.102990D+02  0.121997D+02 -0.112921D+02
      6  -0.109357D+02  0.185054D+02  0.115015D+02 -0.842537D+01  0.125282D+02
               126           127           128           129           130 
      1   0.111052D+01  0.226893D+02  0.753141D+01 -0.102391D+02  0.157108D+02
      2   0.151343D+01 -0.163104D+02 -0.691549D+01  0.852222D+01 -0.134757D+02
      3  -0.262395D+01 -0.637890D+01 -0.615919D+00  0.171687D+01 -0.223515D+01
      4  -0.121159D+02  0.180967D+01  0.686450D+01 -0.723479D-01  0.705447D+01
      5  -0.918815D+01 -0.155218D+02 -0.396686D+01  0.128288D+02 -0.919216D+01
      6   0.878017D+01  0.109927D+01 -0.180682D+01 -0.206720D+01 -0.286213D+01
               131           132           133           134           135 
      1   0.902630D+01 -0.550022D+01 -0.986964D+01 -0.160544D+01  0.671254D+01
      2  -0.828504D+01  0.866386D+01  0.952343D+01  0.497426D+01 -0.109096D+02
      3  -0.741259D+00 -0.316364D+01  0.346218D+00 -0.336882D+01  0.419704D+01
      4   0.832803D+01 -0.734835D+01  0.171285D+01 -0.602069D+01  0.262150D+01
      5  -0.102809D+02  0.116560D+02  0.137616D+02  0.560756D+01 -0.151745D+02
      6  -0.160672D+01  0.399496D+00 -0.145364D+01  0.242366D+01  0.131678D+01
               136           137           138           139           140 
      1   0.183686D+02  0.116089D+02 -0.621120D+01  0.115626D+02  0.380370D+01
      2  -0.229941D+01  0.184138D+01  0.172935D+01  0.701513D+01  0.197155D+02
      3  -0.160692D+02 -0.134503D+02  0.448184D+01 -0.185777D+02 -0.235192D+02
      4   0.272450D+02  0.245446D+02 -0.856242D+01  0.354582D+02  0.455747D+02
      5  -0.125023D+02 -0.806286D+01  0.960764D+01 -0.112747D+02 -0.159640D+02
      6  -0.774812D+01 -0.606773D+01  0.481962D+01 -0.109120D+02 -0.170790D+02
               141           142           143           144           145 
      1  -0.974455D-02 -0.475427D+01  0.513892D+00  0.216734D+01  0.215362D+02
      2  -0.548518D+01  0.182145D+01 -0.260776D+01  0.454503D+00 -0.152633D+02
      3   0.549493D+01  0.293282D+01  0.209387D+01 -0.262184D+01 -0.627287D+01
      4  -0.160270D+02 -0.972713D+01 -0.123905D+02  0.121051D+02 -0.282627D+01
      5   0.103974D+02  0.130774D+02  0.112885D+02 -0.958266D+01 -0.149830D+02
      6   0.108520D+02  0.841628D+01  0.116823D+02 -0.839038D+01 -0.642092D+00
               146           147           148           149           150 
      1  -0.750014D+01 -0.997713D+01 -0.156669D+02  0.927779D+01  0.528227D+01
      2   0.663760D+01  0.811456D+01  0.131660D+02 -0.839153D+01 -0.835573D+01
      3   0.862534D+00  0.186258D+01  0.250086D+01 -0.886258D+00  0.307345D+01
      4   0.721296D+01  0.542637D+00  0.804040D+01 -0.975289D+01 -0.796989D+01
      5   0.409459D+01  0.123837D+02  0.927689D+01 -0.107759D+02 -0.121651D+02
      6  -0.186766D+01  0.154706D+01 -0.314944D+01  0.228060D+01  0.842710D+00
               151           152           153           154           155 
      1  -0.992567D+01  0.150076D+01  0.645478D+01  0.754328D+02  0.866903D+01
      2   0.942424D+01 -0.484647D+01 -0.106229D+02 -0.417377D+02 -0.262627D+01
      3   0.501429D+00  0.334571D+01  0.416814D+01 -0.336951D+02 -0.604277D+01
      4  -0.114009D+01 -0.623930D+01 -0.337479D+01  0.295481D+02  0.121018D+02
      5   0.135485D+02 -0.608327D+01 -0.151740D+02  0.337564D+02  0.434853D+01
      6   0.965538D+00  0.262972D+01 -0.645989D+00  0.894750D+01  0.286651D+01
               156           157           158           159           160 
      1   0.209301D+02 -0.425149D+01  0.574393D+01 -0.283083D+01  0.162586D+02
      2  -0.139377D+02  0.562942D+01 -0.232993D+01  0.369418D+01 -0.131849D+02
      3  -0.699235D+01 -0.137793D+01 -0.341400D+01 -0.863356D+00 -0.307368D+01
      4   0.837066D+01  0.973310D+01  0.424807D+01  0.409744D+01  0.788281D+01
      5   0.188596D+02 -0.183605D+01  0.520350D+01  0.244941D-01  0.222205D+02
      6   0.592309D+01  0.271241D+01  0.271585D+01  0.343596D+01  0.682601D+01
               161           162           163           164           165 
      1   0.707945D+00  0.121167D+02 -0.183909D+01  0.861876D+01  0.866055D+01
      2   0.604937D+00 -0.992340D+01  0.211901D+01 -0.763481D+01 -0.465330D+01
      3  -0.131288D+01 -0.219328D+01 -0.279922D+00 -0.983947D+00 -0.400725D+01
      4   0.427176D+01  0.656205D+01  0.959660D+00 -0.105066D+01  0.185611D+01
      5   0.375258D+01  0.139582D+02  0.363975D+01  0.676950D+00 -0.576211D+00
      6   0.411079D+01  0.430697D+01  0.482568D+01 -0.526906D+01 -0.451923D+01
               166           167           168           169           170 
      1   0.521035D+01 -0.185362D+02 -0.972047D+01  0.592148D+01 -0.738027D+01
      2  -0.300747D+01  0.235130D+02  0.893611D+01 -0.280697D+01  0.541122D+01
      3  -0.220288D+01 -0.497674D+01  0.784360D+00 -0.311451D+01  0.196905D+01
      4   0.497139D+01  0.164124D+02  0.780526D+01  0.461862D+01  0.752933D+01
      5   0.228990D+01  0.792347D+01  0.951460D+01  0.356278D+01  0.711110D+01
      6   0.327819D-01  0.182672D+02  0.142290D+02  0.110390D+00  0.128933D+02
               171           172           173           174           175 
      1  -0.930284D+01  0.129074D+02 -0.624710D+01  0.542137D+00 -0.120343D+02
      2   0.434379D+01 -0.482340D+01  0.230086D+01 -0.858692D+00  0.659504D+01
      3   0.495906D+01 -0.808403D+01  0.394624D+01  0.316554D+00  0.543923D+01
      4   0.610744D+01 -0.112422D+02  0.115911D+02 -0.250000D+01  0.949824D+01
      5   0.863927D+01  0.363931D+01 -0.298217D+01  0.330729D+01 -0.868024D+01
      6   0.129951D+02 -0.316877D+01  0.376005D+01 -0.141385D+01  0.448798D+01
               176           177           178           179           180 
      1   0.462512D+01 -0.259843D+01 -0.616477D+01  0.114635D+01 -0.101638D+01
      2   0.699467D+00  0.394471D+01  0.304994D+01  0.788960D+00 -0.807480D+00
      3  -0.532459D+01 -0.134628D+01  0.311483D+01 -0.193531D+01  0.182386D+01
      4  -0.180608D+02  0.201128D+01 -0.206957D+01 -0.219616D+01 -0.391780D+01
      5   0.315702D+01 -0.580888D+01  0.301243D+00 -0.310691D+01  0.776493D+00
      6  -0.683046D+01  0.214600D+01 -0.126966D+01  0.912955D+00 -0.175298D+01
               181           182           183           184           185 
      1  -0.350511D+01 -0.154290D+00  0.347463D+01  0.250742D+00 -0.118356D+01
      2   0.101763D+01 -0.577014D+00  0.171984D+01 -0.133087D+00 -0.202974D+01
      3   0.248748D+01  0.731304D+00 -0.519446D+01 -0.117655D+00  0.321331D+01
      4  -0.283399D+01  0.543589D+00 -0.510568D+00  0.323128D+01 -0.179873D+00
      5  -0.108320D+01 -0.411920D+00  0.896667D+00 -0.500426D+00  0.300407D+01
      6   0.213075D+00  0.634852D+00 -0.647485D-01  0.167694D+01 -0.393243D+00
               186           187           188           189           190 
      1  -0.314480D-01  0.248998D+01  0.203749D+01 -0.176162D+02 -0.431169D+01
      2   0.777780D+00 -0.653446D+01  0.174307D+01 -0.198048D+02  0.589546D+01
      3  -0.746332D+00  0.404447D+01 -0.378056D+01  0.374210D+02 -0.158376D+01
      4   0.336738D+01  0.143399D+01  0.447147D+01 -0.366124D+01 -0.480690D+01
      5  -0.664570D+00  0.884053D+01 -0.247246D+01  0.240882D+02  0.309215D+01
      6   0.557785D+01  0.258229D+00  0.350912D+01  0.862672D+00  0.277086D+00
               191           192           193           194           195 
      1   0.683024D+01 -0.182044D+01  0.694623D+01 -0.208923D+02  0.471493D+01
      2  -0.871629D+01  0.119147D+01 -0.667390D+01  0.321992D+02 -0.399355D+01
      3   0.188605D+01  0.628971D+00 -0.272329D+00 -0.113069D+02 -0.721379D+00
      4   0.620706D+00  0.181387D+01  0.609863D+01  0.207204D+01 -0.684268D+00
      5  -0.451477D+00 -0.713311D+00 -0.291186D+01  0.187968D+01  0.106730D+01
      6   0.662533D+01 -0.315061D+01  0.135195D+01 -0.122220D+02  0.659532D+01
               196           197           198           199           200 
      1   0.159548D+01  0.796453D+00 -0.455013D+01 -0.548137D+00  0.143993D+01
      2  -0.135890D+01  0.291681D+01  0.254670D+01 -0.253390D+01 -0.102967D+01
      3  -0.236579D+00 -0.371326D+01  0.200343D+01  0.308204D+01 -0.410255D+00
      4   0.322463D+01  0.367507D+01 -0.165844D+01  0.399121D+00 -0.584412D+00
      5  -0.952221D+00 -0.122217D+00  0.658414D+00 -0.183997D+01  0.216041D-02
      6  -0.210989D+01  0.283209D+01 -0.194383D+01 -0.598216D+00  0.210348D+01
               201           202           203           204           205 
      1  -0.336045D+01 -0.126532D+01 -0.391249D+01  0.270111D+00 -0.313197D+01
      2   0.909114D+00  0.114505D+01  0.143443D+01 -0.451137D+01  0.290728D+01
      3   0.245134D+01  0.120279D+00  0.247806D+01  0.424126D+01  0.224685D+00
      4  -0.103151D+01 -0.187491D+01 -0.323672D+01  0.190830D-01 -0.410052D+01
      5   0.404888D+01  0.863276D+00  0.384071D+00 -0.217423D+01  0.418289D+01
      6  -0.176489D+01  0.179602D+01 -0.772778D+00  0.243241D+01  0.101987D+01
               206           207           208           209           210 
      1   0.496619D+01 -0.214218D+02 -0.446224D+01 -0.744346D+01 -0.215489D+01
      2  -0.836980D-01 -0.149241D+02  0.614257D+01  0.976423D+01  0.150209D+01
      3  -0.488250D+01  0.363459D+02 -0.168033D+01 -0.232078D+01  0.652803D+00
      4  -0.305209D+01 -0.421141D+00  0.560791D+01  0.107344D+01 -0.169229D+01
      5   0.340556D+01 -0.149480D+02  0.325009D+01  0.705307D+00 -0.608874D+00
      6   0.789278D+01 -0.192214D+02 -0.592414D-01  0.710102D+01  0.345435D+01
               211           212           213           214           215 
      1  -0.709899D+01 -0.203496D+02 -0.463663D+01  0.129910D+01 -0.502201D+00
      2   0.725900D+01  0.315937D+02  0.393797D+01 -0.122269D+01 -0.323093D+01
      3  -0.160013D+00 -0.112440D+02  0.698665D+00 -0.764164D-01  0.373314D+01
      4   0.644186D+01 -0.713982D-01 -0.226105D+00 -0.319467D+01  0.371089D+01
      5   0.292931D+01  0.225838D+01 -0.751102D+00 -0.857593D+00  0.276952D+00
      6   0.174716D+01  0.116911D+02  0.645883D+01  0.226573D+01  0.271042D+01
               216           217           218           219           220 
      1  -0.438159D+01 -0.616786D+00 -0.162522D+01 -0.328175D+01  0.959754D+00
      2   0.239014D+01 -0.247884D+01  0.124201D+01  0.100377D+01 -0.807378D+00
      3   0.199145D+01  0.309562D+01  0.383214D+00  0.227798D+01 -0.152376D+00
      4   0.196035D+01 -0.584043D+00 -0.294703D+00  0.123036D+01 -0.178846D+01
      5   0.744674D+00 -0.183222D+01  0.194314D+00  0.421031D+01 -0.674545D+00
      6   0.188769D+01  0.860143D+00  0.210228D+01  0.169636D+01  0.182382D+01
               221           222           223           224           225 
      1  -0.360606D+01 -0.141813D+00 -0.299822D+01 -0.513108D+01 -0.213863D+02
      2   0.113962D+01  0.444287D+01  0.254134D+01  0.224457D+00 -0.149281D+02
      3   0.246644D+01 -0.430106D+01  0.456886D+00  0.490662D+01  0.363143D+02
      4   0.354634D+01  0.178130D+00  0.422668D+01 -0.300980D+01  0.688800D+00
      5   0.440074D+00  0.206989D+01  0.398237D+01 -0.324806D+01 -0.140601D+02
      6   0.603303D+00  0.228834D+01 -0.843678D+00  0.811269D+01  0.199046D+02
               226           227           228           229           230 
      1   0.146331D+02  0.683739D+01  0.864643D+00  0.124131D+02  0.529397D+01
      2  -0.617451D+01 -0.303525D+01 -0.123492D+01 -0.712469D+01 -0.377898D+00
      3  -0.845861D+01 -0.380214D+01  0.370274D+00 -0.528842D+01 -0.491608D+01
      4   0.112853D+02  0.114425D+02  0.249527D+01  0.891626D+01  0.169611D+02
      5   0.426527D+01  0.309391D+01  0.360219D+01  0.881369D+01  0.292485D+01
      6   0.333419D+01  0.376301D+01  0.135119D+01  0.424583D+01  0.634886D+01
               231           232           233           234           235 
      1   0.271485D+01 -0.601398D+01 -0.107470D+01 -0.681654D+00 -0.323601D+01
      2  -0.405315D+01  0.282505D+01 -0.724689D+00 -0.114093D+01  0.779623D+00
      3   0.133830D+01  0.318893D+01  0.179939D+01  0.182258D+01  0.245638D+01
      4   0.161261D+01  0.237165D+01 -0.227729D+01  0.391125D+01  0.317116D+01
      5   0.574095D+01  0.486236D+00  0.312250D+01  0.847767D+00 -0.104793D+01
      6   0.183721D+01  0.128518D+01  0.725884D+00  0.172259D+01 -0.693889D-01
               236           237           238           239           240 
      1   0.284456D+00  0.352517D+01  0.111583D+00 -0.118278D+01  0.166930D+00
      2   0.414346D+00  0.163656D+01 -0.263091D+00 -0.205476D+01 -0.113706D+01
      3  -0.698802D+00 -0.516174D+01  0.151508D+00  0.323754D+01  0.970130D+00
      4   0.429426D+00  0.575315D+00  0.310187D+01 -0.175569D-01  0.329673D+01
      5   0.611285D+00  0.930320D+00  0.743948D+00  0.296362D+01  0.862164D+00
      6   0.633117D+00  0.263845D+00  0.166595D+01  0.165440D+00  0.553527D+01
               241           242           243           244           245 
      1   0.227093D+01 -0.174847D+01 -0.172996D+02 -0.182785D+01 -0.115783D+01
      2  -0.647247D+01 -0.185206D+01 -0.201060D+02 -0.576711D-01  0.253412D+01
      3   0.420154D+01  0.360053D+01  0.374056D+02  0.188552D+01 -0.137629D+01
      4  -0.162462D+01  0.454026D+01  0.354327D+01  0.686566D+01 -0.308737D+01
      5   0.891576D+01  0.223441D+01  0.239951D+02 -0.511886D+01  0.231617D+01
      6  -0.491924D+00  0.342169D+01 -0.189589D+01  0.134238D+02  0.168863D+01
               246           247           248           249           250 
      1  -0.509844D+01 -0.711950D+01  0.200303D+02  0.171738D+02 -0.767195D+01
      2   0.186402D+01  0.129363D+02 -0.269801D+02 -0.318927D+02  0.536093D+01
      3   0.323443D+01 -0.581676D+01  0.694984D+01  0.147189D+02  0.231102D+01
      4   0.133225D+02 -0.359343D+01  0.108117D+02  0.321545D+01  0.149431D+02
      5  -0.306833D+01  0.186345D+01  0.597593D+01  0.215038D+00 -0.421287D+01
      6   0.842384D+01  0.243485D+01 -0.316965D+02 -0.105314D+02  0.116916D+02
               251           252           253           254           255 
      1   0.223508D+02  0.421861D+01 -0.676982D+01  0.328349D+01  0.977566D+01
      2  -0.356266D+02 -0.879688D+01  0.971029D+01 -0.333609D+01 -0.217228D+01
      3   0.132758D+02  0.457827D+01 -0.294047D+01  0.525967D-01 -0.760338D+01
      4   0.614768D+01  0.117684D+02  0.781563D+01  0.143666D+01 -0.653765D+01
      5   0.332850D+01 -0.264594D+00  0.925155D+01  0.360677D+00 -0.273953D+01
      6  -0.144147D+02 -0.204703D+01 -0.645269D+01 -0.385925D+01 -0.460902D+01
               256           257           258           259           260 
      1   0.644654D+01 -0.201085D+02 -0.994500D+01  0.628971D+01 -0.507804D+01
      2  -0.101769D+02  0.211852D+02  0.177920D+02  0.886761D+00  0.838249D+01
      3   0.373040D+01 -0.107670D+01 -0.784698D+01 -0.717647D+01 -0.330445D+01
      4   0.768151D+00 -0.360909D+01 -0.210687D+01 -0.685564D+01 -0.184509D+01
      5   0.570444D+00 -0.702959D+01 -0.161075D+01 -0.152951D+01 -0.394459D+00
      6  -0.276390D+01  0.139026D+02  0.522776D+01 -0.366042D+01  0.226180D+01
               261           262           263           264           265 
      1   0.283034D+01  0.178959D+02 -0.283028D+01 -0.590082D+01 -0.508994D+00
      2   0.581319D+01 -0.158716D+02  0.596787D+01  0.820951D+01  0.239784D+01
      3  -0.864353D+01 -0.202430D+01 -0.313759D+01 -0.230869D+01 -0.188885D+01
      4  -0.277439D+01  0.157585D+02  0.645001D+01 -0.778325D+01  0.115115D+01
      5  -0.222850D+01 -0.182394D+02 -0.311634D+01  0.113915D+02  0.232006D+01
      6  -0.709172D+01 -0.749047D+01 -0.366518D+01  0.667687D+01 -0.221805D+00
               266           267           268           269           270 
      1   0.417014D+01 -0.603947D+00 -0.332853D+01 -0.630597D+00  0.150382D+01
      2  -0.285997D+01 -0.421299D+00  0.680634D+01  0.174496D+01 -0.744828D+01
      3  -0.131017D+01  0.102525D+01 -0.347781D+01 -0.111436D+01  0.594445D+01
      4   0.438955D+00  0.293847D+00 -0.299760D+01 -0.342529D+00  0.342282D+01
      5  -0.279438D+00 -0.128374D+01  0.827063D+01  0.252493D+00 -0.756743D+01
      6   0.144382D+01 -0.117035D+00  0.353313D+01  0.135692D+01 -0.511455D+01
               271           272           273           274           275 
      1  -0.127725D+00  0.657482D+01 -0.774349D+01  0.189152D+01 -0.186067D+01
      2  -0.459800D+01 -0.653456D+01 -0.191970D+01 -0.197513D+01 -0.734103D+00
      3   0.472572D+01 -0.402591D-01  0.966319D+01  0.836069D-01  0.259478D+01
      4  -0.378637D+01 -0.810846D+00 -0.351435D+01 -0.844667D-01 -0.213195D+01
      5   0.188593D+01  0.262080D+00  0.360338D+01 -0.163785D-01  0.218511D+01
      6  -0.248689D+01  0.577833D+01 -0.887727D+01  0.242388D+01 -0.251798D+01
               276           277           278           279           280 
      1   0.164344D+01 -0.231597D+01  0.669916D+01 -0.159292D+02  0.122255D+02
      2  -0.651793D+00 -0.124068D+01 -0.229626D+01 -0.128597D+02 -0.252853D+01
      3  -0.991646D+00  0.355665D+01 -0.440290D+01  0.287889D+02 -0.969700D+01
      4   0.131919D+01 -0.335312D+01 -0.971106D+00 -0.321347D+01  0.257062D+02
      5  -0.933872D+00  0.391584D+01  0.396700D+00 -0.138290D+01  0.769151D+01
      6   0.531138D+01 -0.153615D+01  0.807827D+01 -0.211385D+02  0.985934D+01
               281           282           283           284           285 
      1  -0.223306D+01  0.465557D+01 -0.341545D+01 -0.168720D+01 -0.766008D+00
      2   0.100983D+02 -0.127607D+01  0.755663D+01  0.594389D+01  0.933253D+00
      3  -0.786519D+01 -0.337950D+01 -0.414119D+01 -0.425669D+01 -0.167245D+00
      4   0.121964D+02  0.979756D+01  0.656138D+01  0.891363D+01  0.194599D+01
      5   0.184863D+01  0.633748D+01  0.721107D+00  0.178581D+01  0.753820D+00
      6   0.306086D+01  0.864547D+01  0.126232D+01  0.164609D+01  0.349920D+01
               286           287           288           289           290 
      1   0.504974D+01 -0.856991D+00  0.626332D+00 -0.349198D+01 -0.948469D+00
      2  -0.217871D+01  0.414083D+01  0.629998D+00  0.866115D+01  0.608307D+01
      3  -0.287103D+01 -0.328384D+01 -0.125633D+01 -0.516917D+01 -0.513460D+01
      4   0.156947D+02  0.619989D+01  0.106329D+02  0.826004D+01  0.159316D+02
      5   0.791601D+01  0.327762D+01  0.766269D+01 -0.154192D+01 -0.349287D+01
      6   0.110341D+02  0.812805D+01  0.133354D+02 -0.474942D+01 -0.451347D+01
               291           292           293           294           295 
      1   0.105253D+01 -0.513873D+01 -0.379738D+02  0.136315D+02  0.459340D+01
      2  -0.240139D+01  0.119905D+02  0.671755D+02 -0.216365D+02 -0.677638D+01
      3   0.134886D+01 -0.685172D+01 -0.292017D+02  0.800496D+01  0.218298D+01
      4  -0.505708D+01  0.123303D+02  0.204142D+02 -0.775447D+01 -0.582579D+01
      5   0.375818D+01 -0.185343D+01 -0.495850D+01  0.303454D+01  0.407196D+01
      6   0.361750D+01 -0.639351D+01 -0.306954D+02  0.184068D+02  0.773514D+01
               296           297           298           299           300 
      1   0.211493D+02 -0.135886D+02 -0.389309D+01  0.759854D+00  0.858670D+00
      2  -0.306617D+02  0.166029D+02  0.858026D+01 -0.480653D+01 -0.185039D+01
      3   0.951244D+01 -0.301435D+01 -0.468717D+01  0.404668D+01  0.991724D+00
      4  -0.114187D+02  0.846302D+01 -0.650743D+01  0.151522D+02  0.460484D+01
      5   0.544214D+01 -0.455253D+01 -0.111807D+01  0.317641D+01  0.348986D+01
      6   0.276447D+02 -0.215380D+02  0.436918D+01 -0.348114D+01 -0.295189D+01
               301           302           303           304           305 
      1   0.461659D+01 -0.398929D+02 -0.142948D+02  0.410299D+01 -0.222580D+02
      2  -0.103811D+02  0.695952D+02  0.223533D+02 -0.586291D+01  0.318637D+02
      3   0.576455D+01 -0.297023D+02 -0.805855D+01  0.175993D+01 -0.960569D+01
      4   0.111170D+02 -0.168675D+02 -0.637201D+01  0.488991D+01 -0.930393D+01
      5   0.145788D+01 -0.380101D+01 -0.237024D+01  0.353372D+01 -0.436982D+01
      6  -0.529135D+01  0.313143D+02  0.186628D+02 -0.666237D+01  0.281722D+02
               306           307           308           309           310 
      1  -0.142713D+02  0.102232D+02  0.271794D+01  0.380677D+01  0.341337D+01
      2   0.172917D+02 -0.106601D+01 -0.108005D+02 -0.438119D+00 -0.777061D+01
      3  -0.302040D+01 -0.915714D+01  0.808258D+01 -0.336866D+01  0.435723D+01
      4  -0.709173D+01 -0.254636D+02  0.123586D+02 -0.993514D+01  0.679843D+01
      5  -0.358962D+01  0.713335D+01 -0.195753D+01  0.591662D+01 -0.908701D+00
      6   0.217027D+02 -0.998049D+01  0.351856D+01 -0.875403D+01  0.165281D+01
               311           312           313           314           315 
      1  -0.276665D+01  0.765830D+00  0.370318D+01  0.122599D+01 -0.314423D+00
      2   0.756726D+01 -0.108029D+01 -0.983222D+00 -0.462500D+01  0.156309D+01
      3  -0.480061D+01  0.314464D+00 -0.271995D+01  0.339901D+01 -0.124867D+01
      4  -0.935857D+01  0.229834D+01 -0.156758D+02  0.665455D+01 -0.105918D+02
      5   0.182697D+01 -0.863111D+00  0.728484D+01 -0.324013D+01  0.706246D+01
      6  -0.193384D+01  0.391710D+01 -0.109976D+02  0.875597D+01 -0.136600D+02
               316           317           318           319           320 
      1   0.165752D+02  0.282980D+01 -0.515384D+01  0.572790D-01  0.396725D+01
      2  -0.147821D+02 -0.598881D+01  0.750963D+01 -0.196505D+01 -0.242808D+01
      3  -0.179313D+01  0.315901D+01 -0.235578D+01  0.190777D+01 -0.153917D+01
      4  -0.168592D+02  0.676680D+01  0.839342D+01  0.174386D+01 -0.108430D+01
      5  -0.178389D+02  0.373247D+01  0.111433D+02 -0.155196D+01 -0.413722D+00
      6   0.811133D+01 -0.423042D+01 -0.718472D+01 -0.549000D+00 -0.123674D+01
               321           322           323           324           325 
      1   0.855167D+00 -0.301474D+01  0.724853D+00  0.118145D+01 -0.188740D+00
      2   0.635760D-01  0.644358D+01 -0.199468D+01 -0.713142D+01 -0.453410D+01
      3  -0.918743D+00 -0.342884D+01  0.126982D+01  0.594997D+01  0.472284D+01
      4  -0.915225D-01  0.342038D+01 -0.602724D+00 -0.381623D+01  0.357508D+01
      5   0.783170D+00  0.810096D+01 -0.557649D+00 -0.734503D+01  0.200079D+01
      6   0.149286D+00 -0.384114D+01  0.154654D+01  0.545806D+01  0.276990D+01
               326           327           328           329           330 
      1  -0.669027D+01 -0.748267D+01 -0.195839D+01 -0.128356D+01 -0.119119D+01
      2   0.674312D+01 -0.221656D+01  0.213629D+01 -0.131393D+01  0.626852D+00
      3  -0.528527D-01  0.969924D+01 -0.177908D+00  0.259749D+01  0.564333D+00
      4  -0.286478D+00  0.382425D+01  0.233622D-01  0.218196D+01  0.124977D+01
      5   0.108303D-01  0.404189D+01  0.138335D+00  0.229304D+01  0.990473D+00
      6   0.576944D+01  0.894018D+01  0.240769D+01  0.205606D+01  0.487174D+01
               331           332           333 
      1  -0.232408D+01 -0.665885D+01 -0.156286D+02
      2  -0.143579D+01  0.241997D+01 -0.131375D+02
      3   0.375987D+01  0.423888D+01  0.287661D+02
      4   0.336634D+01 -0.716281D+00  0.334448D+01
      5   0.397268D+01 -0.206265D+00 -0.430179D+00
      6   0.172943D+01  0.801451D+01  0.211701D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.658671D-03      0.167418D-02      0.558445D-02
   y          0.143809D-01      0.365526D-01      0.121926D+00
   z          0.725989D-03      0.184528D-02      0.615519D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149422D+03      0.221421D+02      0.246364D+02
   yx        -0.441725D-02     -0.654570D-03     -0.728307D-03
   yy         0.148320D+03      0.219787D+02      0.244546D+02
   zx        -0.453560D-01     -0.672107D-02     -0.747820D-02
   zy        -0.468236D-04     -0.693854D-05     -0.772017D-05
   zz         0.120632D+03      0.178758D+02      0.198895D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146592D+03      0.217227D+02      0.241698D+02
   aniso      0.308890D+02      0.457728D+01      0.509291D+01
   xx         0.157472D+03      0.233349D+02      0.259636D+02
   yx        -0.266247D-02     -0.394537D-03     -0.438982D-03
   yy         0.156294D+03      0.231603D+02      0.257694D+02
   zx        -0.127888D-01     -0.189511D-02     -0.210859D-02
   zy        -0.106689D-02     -0.158096D-03     -0.175906D-03
   zz         0.126011D+03      0.186729D+02      0.207764D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -4.63170140          1.56519360         -2.77330559
     6         -4.63491925         -1.28260134         -2.93006991
     7         -1.94868331         -2.20046724         -2.72415828
    45         -0.00033715          0.00025888          0.00223332
     7          2.06738136          1.91138398         -2.85031279
     6          4.75860935          0.98506499         -2.84288536
     6          4.74403713         -1.83123877         -2.39211776
     7          3.24147205         -2.35582258         -0.03335288
     7         -3.23342707          2.33310036         -0.41702454
     7          1.56310870          2.20941609          2.96034269
     6          1.18659769          0.86180546          5.43712811
     1          6.65944756         -2.56771819         -2.20264289
     1          3.84681089         -2.83895626         -3.94943791
     1          5.68506960          1.45299991         -4.62308593
     1          5.76803186          1.97940847         -1.34663991
     1         -5.48456994         -1.93423556         -4.69069712
     1         -5.71129724         -2.11756751         -1.38388476
     1         -6.55143104          2.31420944         -2.74583374
     1         -3.66379171          2.40780667         -4.38551415
     1         -4.42914598          2.17120471          1.08583249
     1         -2.84040798          4.21706091         -0.52205729
     1         -1.12845012         -2.09360158         -4.46469920
     1         -1.96699633         -4.08495861         -2.32070815
     1          1.32294939          1.62058459         -4.60378038
     1          2.07102177          3.82770644         -2.64543478
     1          4.36920616         -2.03755754          1.49673061
     1          2.84870975         -4.24138187          0.03829273
     6         -1.41829863         -0.30062832          5.44156318
     7         -1.69189832         -1.89654938          3.10276797
     1          3.42959843          2.64421984          2.76086658
     1          0.68108274          3.92080934          3.05632857
     1          2.64719557         -0.58231926          5.60950426
     1          1.42451777          2.17010910          7.01149378
     1         -1.72544698         -1.44075577          7.13056109
     1         -2.88217764          1.14983129          5.40223913
     1         -3.54901260         -2.35495197          2.87094007
     1         -0.81737675         -3.58656429          3.41140659

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.144143D-01      0.366374D-01      0.122209D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.144143D-01      0.366374D-01      0.122209D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139458D+03      0.206655D+02      0.229935D+02
   aniso      0.282557D+02      0.418706D+01      0.465873D+01
   xx         0.149365D+03      0.221336D+02      0.246269D+02
   yx        -0.126523D+01     -0.187488D+00     -0.208609D+00
   yy         0.120758D+03      0.178945D+02      0.199103D+02
   zx         0.107439D+00      0.159209D-01      0.177144D-01
   zy         0.139152D+01      0.206201D+00      0.229430D+00
   zz         0.148251D+03      0.219686D+02      0.244433D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146592D+03      0.217227D+02      0.241698D+02
   aniso      0.308890D+02      0.457728D+01      0.509291D+01
   xx         0.157405D+03      0.233251D+02      0.259527D+02
   yx        -0.141912D+01     -0.210292D+00     -0.233981D+00
   yy         0.126152D+03      0.186938D+02      0.207997D+02
   zx         0.120218D+00      0.178144D-01      0.198212D-01
   zy         0.152115D+01      0.225411D+00      0.250804D+00
   zz         0.156219D+03      0.231493D+02      0.257570D+02

 ----------------------------------------------------------------------
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 THE FIRST MORNING OF CREATION WROTE WHAT THE LAST DAWN OF
 RECKONING SHALL READ. -- OMAR KHAYYAM
 Job cpu time:       1 days 10 hours 36 minutes 57.4 seconds.
 Elapsed time:       0 days  4 hours 20 minutes 15.5 seconds.
 File lengths (MBytes):  RWF=   1267 Int=      0 D2E=      0 Chk=     39 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 00:52:44 2021.
